3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide

C22H21N5O2 — CID 91035630

IUPAC3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide
SMILESC[C@H](Cc1cn(C(N)=O)c2ccccc12)NC(=O)C=Cc1c[nH]c2ncccc12
InChIInChI=1S/C22H21N5O2/c1-14(11-16-13-27(22(23)29)19-7-3-2-5-17(16)19)26-20(28)9-8-15-12-25-21-18(15)6-4-10-24-21/h2-10,12-14H,11H2,1H3,(H2,23,29)(H,24,25)(H,26,28)/t14-/m1/s1
InChIKeyVBTVKUIRDPMYFG-CQSZACIVSA-N
MW387.44 g/mol
LogP3.20
Rot. Bonds5

About 3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide

3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide (PubChem CID 91035630) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide.

Molecular Properties

Compound Name3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide
PubChem CID91035630
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide
SMILESC[C@H](Cc1cn(C(N)=O)c2ccccc12)NC(=O)C=Cc1c[nH]c2ncccc12
InChIInChI=1S/C22H21N5O2/c1-14(11-16-13-27(22(23)29)19-7-3-2-5-17(16)19)26-20(28)9-8-15-12-25-21-18(15)6-4-10-24-21/h2-10,12-14H,11H2,1H3,(H2,23,29)(H,24,25)(H,26,28)/t14-/m1/s1
InChIKeyVBTVKUIRDPMYFG-CQSZACIVSA-N
XLogP3.20
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-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

methyl 3-[(2R)-2-[3-(2-methylphenyl)prop-2-enoylamino]propyl]indole-1-carboxylate
CID 123643977
N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69014924
tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate
CID 56984917
N-[(2S)-1-amino-3-(4-phenylphenyl)propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69014504
methyl 3-[(2R)-2-[3-(2-cyanophenyl)prop-2-enoylamino]propyl]indole-1-carboxylate
CID 123429481
3-[(2R)-2-[3-(2,6-difluorophenyl)prop-2-enoylamino]propyl]indole-1-carboxylic acid
CID 123476384
(E)-N-[(2S)-1-amino-3-naphthalen-2-ylpropan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 42635841
N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69012171
(E)-N-[(2S)-1-amino-3-(4-chlorophenyl)propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide;dihydrochloride
CID 42635925
(E)-N-[(2S)-1-amino-3-[3-(aminomethyl)phenyl]propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide;trihydrochloride
CID 69009605
tert-butyl N-[(2S)-3-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]carbamate
CID 69082890
3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide
CID 123601463

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide?
The IUPAC name of 3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide (CID 91035630) is 3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide.
What is the SMILES notation for 3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide?
The canonical SMILES for 3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide is C[C@H](Cc1cn(C(N)=O)c2ccccc12)NC(=O)C=Cc1c[nH]c2ncccc12.
What is the InChIKey of 3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide?
The InChIKey is VBTVKUIRDPMYFG-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14(11-16-13-27(22(23)29)19-7-3-2-5-17(16)19)26-20(28)9-8-15-12-25-21-18(15)6-4-10-24-21/h2-10,12-14H,11H2,1H3,(H2,23,29)(H,24,25)(H,26,28)/t14-/m1/s1.
What are the key properties of 3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide?
3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide is sourced from PubChem (CID 91035630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).