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

C26H29N5O2 — CID 70984090

IUPACN-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C26H29N5O2/c32-25(24-16-21-17-27-11-7-23(21)30-24)29-10-2-1-3-18-8-13-31(14-9-18)26(33)20-4-5-22-19(15-20)6-12-28-22/h4-7,11-12,15-18,28,30H,1-3,8-10,13-14H2,(H,29,32)
InChIKeyGIFUOFQPOPEESH-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.50
Rot. Bonds7

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

N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 70984090) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[4-[1-(1H-indole-5-carbonyl)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]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID70984090
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C26H29N5O2/c32-25(24-16-21-17-27-11-7-23(21)30-24)29-10-2-1-3-18-8-13-31(14-9-18)26(33)20-4-5-22-19(15-20)6-12-28-22/h4-7,11-12,15-18,28,30H,1-3,8-10,13-14H2,(H,29,32)
InChIKeyGIFUOFQPOPEESH-UHFFFAOYSA-N
XLogP4.50
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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]-1H-pyrrolo[3,2-c]pyridine-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

4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114
N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70983957
N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 126510184
6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
CID 146900863
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157399723
N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 71010276
N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126779705
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one
CID 146900861
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983195
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
N-[[6-[4-[(dimethylamino)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90011963

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1H-indole-5-carbonyl)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]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 70984090) is N-[4-[1-(1H-indole-5-carbonyl)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]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is GIFUOFQPOPEESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c32-25(24-16-21-17-27-11-7-23(21)30-24)29-10-2-1-3-18-8-13-31(14-9-18)26(33)20-4-5-22-19(15-20)6-12-28-22/h4-7,11-12,15-18,28,30H,1-3,8-10,13-14H2,(H,29,32).
What are the key properties of N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 70984090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).