5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide

C85H79Cl2F2N17O8 — CID 160535536

IUPAC5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC3(c4ccccc4)COC3)cc2c1.COc1ccc2[nH]c(C(=O)NC3(c4cnn(C)c4)CC3)cc2c1.C[C@@H](NC(=O)c1cc2ccc(C(F)F)cc2[nH]1)c1ccccc1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)cnc4[nH]3)CC2)cn1.O=C(NC1(c2ncccn2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18N2O3.C18H16F2N2O.C17H18N4O2.C16H13ClN4O.C15H14ClN5O/c1-23-15-7-8-16-13(9-15)10-17(20-16)18(22)21-19(11-24-12-19)14-5-3-2-4-6-14;1-11(12-5-3-2-4-6-12)21-18(23)16-9-13-7-8-14(17(19)20)10-15(13)22-16;1-21-10-12(9-18-21)17(5-6-17)20-16(22)15-8-11-7-13(23-2)3-4-14(11)19-15;17-11-2-3-12-10(8-11)9-13(20-12)14(22)21-16(4-5-16)15-18-6-1-7-19-15;1-21-8-10(6-18-21)15(2-3-15)20-14(22)12-5-9-4-11(16)7-17-13(9)19-12/h2-10,20H,11-12H2,1H3,(H,21,22);2-11,17,22H,1H3,(H,21,23);3-4,7-10,19H,5-6H2,1-2H3,(H,20,22);1-3,6-9,20H,4-5H2,(H,21,22);4-8H,2-3H2,1H3,(H,17,19)(H,20,22)/t;11-;;;/m.1.../s1
InChIKeyQWCJCDMSZWMXPP-CWQLIZLBSA-N
MW1575.58 g/mol
LogP15.16
Rot. Bonds18

About 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide

5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide (PubChem CID 160535536) has the molecular formula C85H79Cl2F2N17O8 and a molecular weight of 1575.58 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide
PubChem CID160535536
Molecular FormulaC85H79Cl2F2N17O8
Molecular Weight1575.58 g/mol
Exact Mass1573.56
IUPAC Name5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC3(c4ccccc4)COC3)cc2c1.COc1ccc2[nH]c(C(=O)NC3(c4cnn(C)c4)CC3)cc2c1.C[C@@H](NC(=O)c1cc2ccc(C(F)F)cc2[nH]1)c1ccccc1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)cnc4[nH]3)CC2)cn1.O=C(NC1(c2ncccn2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18N2O3.C18H16F2N2O.C17H18N4O2.C16H13ClN4O.C15H14ClN5O/c1-23-15-7-8-16-13(9-15)10-17(20-16)18(22)21-19(11-24-12-19)14-5-3-2-4-6-14;1-11(12-5-3-2-4-6-12)21-18(23)16-9-13-7-8-14(17(19)20)10-15(13)22-16;1-21-10-12(9-18-21)17(5-6-17)20-16(22)15-8-11-7-13(23-2)3-4-14(11)19-15;17-11-2-3-12-10(8-11)9-13(20-12)14(22)21-16(4-5-16)15-18-6-1-7-19-15;1-21-8-10(6-18-21)15(2-3-15)20-14(22)12-5-9-4-11(16)7-17-13(9)19-12/h2-10,20H,11-12H2,1H3,(H,21,22);2-11,17,22H,1H3,(H,21,23);3-4,7-10,19H,5-6H2,1-2H3,(H,20,22);1-3,6-9,20H,4-5H2,(H,21,22);4-8H,2-3H2,1H3,(H,17,19)(H,20,22)/t;11-;;;/m.1.../s1
InChIKeyQWCJCDMSZWMXPP-CWQLIZLBSA-N
XLogP15.16
TPSA326.45 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms114
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001575.58
LogP ≤ 515.16
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide (CID 160535536) is 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NC3(c4ccccc4)COC3)cc2c1.COc1ccc2[nH]c(C(=O)NC3(c4cnn(C)c4)CC3)cc2c1.C[C@@H](NC(=O)c1cc2ccc(C(F)F)cc2[nH]1)c1ccccc1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)cnc4[nH]3)CC2)cn1.O=C(NC1(c2ncccn2)CC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide?
The InChIKey is QWCJCDMSZWMXPP-CWQLIZLBSA-N. The full InChI is InChI=1S/C19H18N2O3.C18H16F2N2O.C17H18N4O2.C16H13ClN4O.C15H14ClN5O/c1-23-15-7-8-16-13(9-15)10-17(20-16)18(22)21-19(11-24-12-19)14-5-3-2-4-6-14;1-11(12-5-3-2-4-6-12)21-18(23)16-9-13-7-8-14(17(19)20)10-15(13)22-16;1-21-10-12(9-18-21)17(5-6-17)20-16(22)15-8-11-7-13(23-2)3-4-14(11)19-15;17-11-2-3-12-10(8-11)9-13(20-12)14(22)21-16(4-5-16)15-18-6-1-7-19-15;1-21-8-10(6-18-21)15(2-3-15)20-14(22)12-5-9-4-11(16)7-17-13(9)19-12/h2-10,20H,11-12H2,1H3,(H,21,22);2-11,17,22H,1H3,(H,21,23);3-4,7-10,19H,5-6H2,1-2H3,(H,20,22);1-3,6-9,20H,4-5H2,(H,21,22);4-8H,2-3H2,1H3,(H,17,19)(H,20,22)/t;11-;;;/m.1.../s1.
What are the key properties of 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide?
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide has a molecular weight of 1575.58 g/mol, XLogP of 15.16, 18 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 160535536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).