6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide

C101H102Cl3F6N35O4 — CID 158711019

IUPAC6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide
SMILESCC1C(C(N)=O)NCCN1c1ccnc(-c2cnc3cc(F)c(C4CC4)cn23)n1.Cc1[nH]ncc1C1CC(F)CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1.Cc1[nH]ncc1[C@H]1CN(c2ccnc(-c3cnc4cc(F)c(C5CC5)cn34)n2)C[C@H](C)O1.NC(=O)[C@@H]1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)CCN1C1CC1.NC(=O)[C@H]1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)CCN1C1CC1
InChIInChI=1S/C23H24FN7O.C20H18ClF2N7.C20H22FN7O.2C19H19ClFN7O/c1-13-10-30(12-20(32-13)16-8-27-29-14(16)2)21-5-6-25-23(28-21)19-9-26-22-7-18(24)17(11-31(19)22)15-3-4-15;1-11-14(6-26-28-11)12-4-13(22)9-29(8-12)18-2-3-24-20(27-18)17-7-25-19-5-16(23)15(21)10-30(17)19;1-11-18(19(22)29)23-6-7-27(11)16-4-5-24-20(26-16)15-9-25-17-8-14(21)13(10-28(15)17)12-2-3-12;2*20-12-9-28-14(8-24-17(28)7-13(12)21)19-23-4-3-16(25-19)26-5-6-27(11-1-2-11)15(10-26)18(22)29/h5-9,11,13,15,20H,3-4,10,12H2,1-2H3,(H,27,29);2-3,5-7,10,12-13H,4,8-9H2,1H3,(H,26,28);4-5,8-12,18,23H,2-3,6-7H2,1H3,(H2,22,29);2*3-4,7-9,11,15H,1-2,5-6,10H2,(H2,22,29)/t13-,20+;;;2*15-/m0..10/s1
InChIKeyIISHINMSXNWYFK-AYHIKOETSA-N
MW2090.51 g/mol
LogP12.66
Rot. Bonds19

About 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide

6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide (PubChem CID 158711019) has the molecular formula C101H102Cl3F6N35O4 and a molecular weight of 2090.51 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide
PubChem CID158711019
Molecular FormulaC101H102Cl3F6N35O4
Molecular Weight2090.51 g/mol
Exact Mass2087.78
IUPAC Name6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide
SMILESCC1C(C(N)=O)NCCN1c1ccnc(-c2cnc3cc(F)c(C4CC4)cn23)n1.Cc1[nH]ncc1C1CC(F)CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1.Cc1[nH]ncc1[C@H]1CN(c2ccnc(-c3cnc4cc(F)c(C5CC5)cn34)n2)C[C@H](C)O1.NC(=O)[C@@H]1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)CCN1C1CC1.NC(=O)[C@H]1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)CCN1C1CC1
InChIInChI=1S/C23H24FN7O.C20H18ClF2N7.C20H22FN7O.2C19H19ClFN7O/c1-13-10-30(12-20(32-13)16-8-27-29-14(16)2)21-5-6-25-23(28-21)19-9-26-22-7-18(24)17(11-31(19)22)15-3-4-15;1-11-14(6-26-28-11)12-4-13(22)9-29(8-12)18-2-3-24-20(27-18)17-7-25-19-5-16(23)15(21)10-30(17)19;1-11-18(19(22)29)23-6-7-27(11)16-4-5-24-20(26-16)15-9-25-17-8-14(21)13(10-28(15)17)12-2-3-12;2*20-12-9-28-14(8-24-17(28)7-13(12)21)19-23-4-3-16(25-19)26-5-6-27(11-1-2-11)15(10-26)18(22)29/h5-9,11,13,15,20H,3-4,10,12H2,1-2H3,(H,27,29);2-3,5-7,10,12-13H,4,8-9H2,1H3,(H,26,28);4-5,8-12,18,23H,2-3,6-7H2,1H3,(H2,22,29);2*3-4,7-9,11,15H,1-2,5-6,10H2,(H2,22,29)/t13-,20+;;;2*15-/m0..10/s1
InChIKeyIISHINMSXNWYFK-AYHIKOETSA-N
XLogP12.66
TPSA445.97 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds19
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002090.51
LogP ≤ 512.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
The IUPAC name of 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide (CID 158711019) is 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide.
What is the SMILES notation for 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
The canonical SMILES for 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide is CC1C(C(N)=O)NCCN1c1ccnc(-c2cnc3cc(F)c(C4CC4)cn23)n1.Cc1[nH]ncc1C1CC(F)CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1.Cc1[nH]ncc1[C@H]1CN(c2ccnc(-c3cnc4cc(F)c(C5CC5)cn34)n2)C[C@H](C)O1.NC(=O)[C@@H]1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)CCN1C1CC1.NC(=O)[C@H]1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)CCN1C1CC1.
What is the InChIKey of 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
The InChIKey is IISHINMSXNWYFK-AYHIKOETSA-N. The full InChI is InChI=1S/C23H24FN7O.C20H18ClF2N7.C20H22FN7O.2C19H19ClFN7O/c1-13-10-30(12-20(32-13)16-8-27-29-14(16)2)21-5-6-25-23(28-21)19-9-26-22-7-18(24)17(11-31(19)22)15-3-4-15;1-11-14(6-26-28-11)12-4-13(22)9-29(8-12)18-2-3-24-20(27-18)17-7-25-19-5-16(23)15(21)10-30(17)19;1-11-18(19(22)29)23-6-7-27(11)16-4-5-24-20(26-16)15-9-25-17-8-14(21)13(10-28(15)17)12-2-3-12;2*20-12-9-28-14(8-24-17(28)7-13(12)21)19-23-4-3-16(25-19)26-5-6-27(11-1-2-11)15(10-26)18(22)29/h5-9,11,13,15,20H,3-4,10,12H2,1-2H3,(H,27,29);2-3,5-7,10,12-13H,4,8-9H2,1H3,(H,26,28);4-5,8-12,18,23H,2-3,6-7H2,1H3,(H2,22,29);2*3-4,7-9,11,15H,1-2,5-6,10H2,(H2,22,29)/t13-,20+;;;2*15-/m0..10/s1.
What are the key properties of 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide has a molecular weight of 2090.51 g/mol, XLogP of 12.66, 19 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S,6S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide is sourced from PubChem (CID 158711019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).