N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide

C27H29N5O2S — CID 119099061

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1cnc2c(c1)cc(C1CC1)n2CCN1CCOCC1
InChIInChI=1S/C27H29N5O2S/c28-22-6-5-19(25-2-1-13-35-25)15-23(22)30-27(33)21-14-20-16-24(18-3-4-18)32(26(20)29-17-21)8-7-31-9-11-34-12-10-31/h1-2,5-6,13-18H,3-4,7-12,28H2,(H,30,33)
InChIKeyVVACXVTWNRYQCB-UHFFFAOYSA-N
MW487.63 g/mol
LogP4.81
Rot. Bonds7

About N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 119099061) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID119099061
Molecular FormulaC27H29N5O2S
Molecular Weight487.63 g/mol
Exact Mass487.20
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1cnc2c(c1)cc(C1CC1)n2CCN1CCOCC1
InChIInChI=1S/C27H29N5O2S/c28-22-6-5-19(25-2-1-13-35-25)15-23(22)30-27(33)21-14-20-16-24(18-3-4-18)32(26(20)29-17-21)8-7-31-9-11-34-12-10-31/h1-2,5-6,13-18H,3-4,7-12,28H2,(H,30,33)
InChIKeyVVACXVTWNRYQCB-UHFFFAOYSA-N
XLogP4.81
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 695176
4-Amino-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide
CID 23585560
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)nicotinamide
CID 24744325
N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 24744326
6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 24744793
6-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 24745269
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
CID 24746434
N-(2-amino-5-(thiophen-3-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
CID 24746436
6-(2-Acetyl-2,7-diazaspiro[4.5]dec-7-yl)-N-[2-amino-5-(2-thienyl)phenyl]-nicotinamide
CID 24746437
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(spiro[indoline-3,4''-piperidine]-1''-yl)nicotinamide
CID 25009146
N-[4-isopropyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)phenyl]-2-methyl-pyridine-3-carboxamide
CID 49870936
4-[8-(4-Morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 57399216

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide (CID 119099061) is N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc2c(c1)cc(C1CC1)n2CCN1CCOCC1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is VVACXVTWNRYQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c28-22-6-5-19(25-2-1-13-35-25)15-23(22)30-27(33)21-14-20-16-24(18-3-4-18)32(26(20)29-17-21)8-7-31-9-11-34-12-10-31/h1-2,5-6,13-18H,3-4,7-12,28H2,(H,30,33).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 119099061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).