N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide

C25H24N6O — CID 118303549

IUPACN-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCC=C(c2c(-c3cnn(C)c3)cnc3[nH]cc(-c4cccnc4)c23)C1
InChIInChI=1S/C25H24N6O/c1-3-22(32)30-19-8-4-6-16(10-19)23-21(18-12-29-31(2)15-18)14-28-25-24(23)20(13-27-25)17-7-5-9-26-11-17/h3,5-7,9,11-15,19H,1,4,8,10H2,2H3,(H,27,28)(H,30,32)
InChIKeyQTYKUFXIRJEREY-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.26
Rot. Bonds5

About N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide

N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide (PubChem CID 118303549) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide
PubChem CID118303549
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC NameN-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCC=C(c2c(-c3cnn(C)c3)cnc3[nH]cc(-c4cccnc4)c23)C1
InChIInChI=1S/C25H24N6O/c1-3-22(32)30-19-8-4-6-16(10-19)23-21(18-12-29-31(2)15-18)14-28-25-24(23)20(13-27-25)17-7-5-9-26-11-17/h3,5-7,9,11-15,19H,1,4,8,10H2,2H3,(H,27,28)(H,30,32)
InChIKeyQTYKUFXIRJEREY-UHFFFAOYSA-N
XLogP4.26
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide 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

N-[3-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide
CID 126558172
N-[(1R)-3-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide
CID 126558176
4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 118190179
1-[3-[3-(furan-2-yl)-5-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]but-3-en-2-one
CID 149096380
1-[(3S)-3-[(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]piperidin-1-yl]prop-2-en-1-one
CID 122421518
4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167612656
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
N-[(1R,3S)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]prop-2-enamide
CID 135134495
3-[[[3-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]amino]methyl]but-3-en-2-one
CID 129093812
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
N-[(3R)-1-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]prop-2-enamide
CID 86679649
5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238861

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide?
The IUPAC name of N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide (CID 118303549) is N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide.
What is the SMILES notation for N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide?
The canonical SMILES for N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide is C=CC(=O)NC1CCC=C(c2c(-c3cnn(C)c3)cnc3[nH]cc(-c4cccnc4)c23)C1.
What is the InChIKey of N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide?
The InChIKey is QTYKUFXIRJEREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-3-22(32)30-19-8-4-6-16(10-19)23-21(18-12-29-31(2)15-18)14-28-25-24(23)20(13-27-25)17-7-5-9-26-11-17/h3,5-7,9,11-15,19H,1,4,8,10H2,2H3,(H,27,28)(H,30,32).
What are the key properties of N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide?
N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide has a molecular weight of 424.51 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1-methylpyrazol-4-yl)-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]prop-2-enamide is sourced from PubChem (CID 118303549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).