N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C51H56F3N9O5 — CID 159871188

IUPACN-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1ccc2nccn2c1.O=C(NCCCCC1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C26H29N5O2.C25H27F3N4O3/c32-25(22-5-7-24-28-13-16-31(24)18-22)29-11-2-1-3-19-9-14-30(15-10-19)26(33)21-4-6-23-20(17-21)8-12-27-23;26-25(27,28)35-22-7-2-1-6-19(22)24(34)32-13-9-17(10-14-32)5-3-4-11-30-23(33)21-15-18-16-29-12-8-20(18)31-21/h4-8,12-13,16-19,27H,1-3,9-11,14-15H2,(H,29,32);1-2,6-8,12,15-17,31H,3-5,9-11,13-14H2,(H,30,33)
InChIKeyNSJCGESIYZNVBC-UHFFFAOYSA-N
MW932.06 g/mol
LogP9.18
Rot. Bonds15

About N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 159871188) has the molecular formula C51H56F3N9O5 and a molecular weight of 932.06 g/mol. Its IUPAC name is N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID159871188
Molecular FormulaC51H56F3N9O5
Molecular Weight932.06 g/mol
Exact Mass931.44
IUPAC NameN-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1ccc2nccn2c1.O=C(NCCCCC1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C26H29N5O2.C25H27F3N4O3/c32-25(22-5-7-24-28-13-16-31(24)18-22)29-11-2-1-3-19-9-14-30(15-10-19)26(33)21-4-6-23-20(17-21)8-12-27-23;26-25(27,28)35-22-7-2-1-6-19(22)24(34)32-13-9-17(10-14-32)5-3-4-11-30-23(33)21-15-18-16-29-12-8-20(18)31-21/h4-8,12-13,16-19,27H,1-3,9-11,14-15H2,(H,29,32);1-2,6-8,12,15-17,31H,3-5,9-11,13-14H2,(H,30,33)
InChIKeyNSJCGESIYZNVBC-UHFFFAOYSA-N
XLogP9.18
TPSA169.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.06
LogP ≤ 59.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methyl-3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452739
N-[(3R,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 56591156
N-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 56591157
N-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-oxopiperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 56591180
N-[(3R,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 56591221
N-(2,6-difluorophenyl)-5-[3-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-2-methylanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
CID 71165217
N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 89509085
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-oxopiperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 89509090
N-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 89509141
N-[(3R)-5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 89509188
N-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 89509245
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[[6-[(2R,5S)-4-(1H-imidazole-5-carbonyl)-2,5-dimethylpiperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]cyclohexa-1,3-dien-1-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 118297328

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 159871188) is N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1ccc2nccn2c1.O=C(NCCCCC1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is NSJCGESIYZNVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2.C25H27F3N4O3/c32-25(22-5-7-24-28-13-16-31(24)18-22)29-11-2-1-3-19-9-14-30(15-10-19)26(33)21-4-6-23-20(17-21)8-12-27-23;26-25(27,28)35-22-7-2-1-6-19(22)24(34)32-13-9-17(10-14-32)5-3-4-11-30-23(33)21-15-18-16-29-12-8-20(18)31-21/h4-8,12-13,16-19,27H,1-3,9-11,14-15H2,(H,29,32);1-2,6-8,12,15-17,31H,3-5,9-11,13-14H2,(H,30,33).
What are the key properties of N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 932.06 g/mol, XLogP of 9.18, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 159871188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).