2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline

C82H68ClFN20O3 — CID 158739567

IUPAC2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1.Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1.c1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1.c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1
InChIInChI=1S/C26H27N5O2.C22H19N5O.C17H10ClFN6.C17H12N4/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30;1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17;18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11;1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-2,4,6-10,18H,3,5,11-17H2;2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28);1-9H,(H,20,22,23,24,25);1-11H,(H,20,21)
InChIKeyIMCRZQHBCPNCKN-UHFFFAOYSA-N
MW1436.03 g/mol
LogP15.04
Rot. Bonds14

About 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline

2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline (PubChem CID 158739567) has the molecular formula C82H68ClFN20O3 and a molecular weight of 1436.03 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
PubChem CID158739567
Molecular FormulaC82H68ClFN20O3
Molecular Weight1436.03 g/mol
Exact Mass1434.55
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1.Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1.c1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1.c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1
InChIInChI=1S/C26H27N5O2.C22H19N5O.C17H10ClFN6.C17H12N4/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30;1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17;18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11;1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-2,4,6-10,18H,3,5,11-17H2;2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28);1-9H,(H,20,22,23,24,25);1-11H,(H,20,21)
InChIKeyIMCRZQHBCPNCKN-UHFFFAOYSA-N
XLogP15.04
TPSA282.93 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms107
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001436.03
LogP ≤ 515.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline (CID 158739567) is 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline is Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1.Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1.c1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1.c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
The InChIKey is IMCRZQHBCPNCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2.C22H19N5O.C17H10ClFN6.C17H12N4/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30;1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17;18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11;1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-2,4,6-10,18H,3,5,11-17H2;2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28);1-9H,(H,20,22,23,24,25);1-11H,(H,20,21).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline has a molecular weight of 1436.03 g/mol, XLogP of 15.04, 14 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 158739567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).