N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

C49H54ClN9O4S — CID 158414262

IUPACN-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1cc2ccncc2s1.O=C(NCCCCN1CCN(C(=O)c2cccc(Cl)c2)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C26H28N4O2S.C23H26ClN5O2/c31-25(23-16-20-6-11-27-17-24(20)33-23)29-10-2-1-3-18-8-13-30(14-9-18)26(32)21-4-5-22-19(15-21)7-12-28-22;24-19-5-3-4-17(14-19)23(31)29-12-10-28(11-13-29)9-2-1-7-26-22(30)21-15-18-16-25-8-6-20(18)27-21/h4-7,11-12,15-18,28H,1-3,8-10,13-14H2,(H,29,31);3-6,8,14-16,27H,1-2,7,9-13H2,(H,26,30)
InChIKeyGZRPBMRCICHXBL-UHFFFAOYSA-N
MW900.55 g/mol
LogP8.41
Rot. Bonds14

About N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 158414262) has the molecular formula C49H54ClN9O4S and a molecular weight of 900.55 g/mol. Its IUPAC name is N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID158414262
Molecular FormulaC49H54ClN9O4S
Molecular Weight900.55 g/mol
Exact Mass899.37
IUPAC NameN-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1cc2ccncc2s1.O=C(NCCCCN1CCN(C(=O)c2cccc(Cl)c2)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C26H28N4O2S.C23H26ClN5O2/c31-25(23-16-20-6-11-27-17-24(20)33-23)29-10-2-1-3-18-8-13-30(14-9-18)26(32)21-4-5-22-19(15-21)7-12-28-22;24-19-5-3-4-17(14-19)23(31)29-12-10-28(11-13-29)9-2-1-7-26-22(30)21-15-18-16-25-8-6-20(18)27-21/h4-7,11-12,15-18,28H,1-3,8-10,13-14H2,(H,29,31);3-6,8,14-16,27H,1-2,7,9-13H2,(H,26,30)
InChIKeyGZRPBMRCICHXBL-UHFFFAOYSA-N
XLogP8.41
TPSA159.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.55
LogP ≤ 58.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

(3S,4R)-N-[(3-chloro-1H-indol-5-yl)methyl]-1-(N,3-dicyclohexyl-D-alanyl)-4-{[(5-methyl-1,3-thiazol-2-yl)carbonyl]amino}pi-peridine-3-carboxamide
CID 142354492
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[6-(trifluoromethyl)pyridin-3-yl]sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157399723
N-(6-chloro-3-pyridinyl)benzamide;N-(6-chloro-3-pyridinyl)-1-benzothiophene-2-carboxamide;N-(6-chloro-3-pyridinyl)-5-ethyl-1H-indole-2-carboxamide;N-(6-chloro-3-pyridinyl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(6-chloro-3-pyridinyl)-1H-indole-2-carboxamide;3,4-difluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide;5-fluoro-N-(6-methyl-3-pyridinyl)-1H-indole-2-carboxamide
CID 158441301
N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 158573372
6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-5-[5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]carbamoyl]thiophen-2-yl]indol-3-yl]pyridine-2-carboxamide
CID 166823050
N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]-5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carboxamide
CID 54751672
6-[[7-[5-Chloro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 175711922
[4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 9842833
[4-(5-chlorothiophen-2-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 9928173
[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 22017541
[4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 22017554
[4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone
CID 22727397

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (CID 158414262) is N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1cc2ccncc2s1.O=C(NCCCCN1CCN(C(=O)c2cccc(Cl)c2)CC1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is GZRPBMRCICHXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S.C23H26ClN5O2/c31-25(23-16-20-6-11-27-17-24(20)33-23)29-10-2-1-3-18-8-13-30(14-9-18)26(32)21-4-5-22-19(15-21)7-12-28-22;24-19-5-3-4-17(14-19)23(31)29-12-10-28(11-13-29)9-2-1-7-26-22(30)21-15-18-16-25-8-6-20(18)27-21/h4-7,11-12,15-18,28H,1-3,8-10,13-14H2,(H,29,31);3-6,8,14-16,27H,1-2,7,9-13H2,(H,26,30).
What are the key properties of N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 900.55 g/mol, XLogP of 8.41, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 158414262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).