N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C12H13N5 — CID 91800729

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCc1[nH]nc(Nc2ccnc3[nH]ccc23)c1C
InChIInChI=1S/C12H13N5/c1-7-8(2)16-17-11(7)15-10-4-6-14-12-9(10)3-5-13-12/h3-6H,1-2H3,(H3,13,14,15,16,17)
InChIKeySUFCXVOCIXGJIT-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.65
Rot. Bonds2

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 91800729) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID91800729
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCc1[nH]nc(Nc2ccnc3[nH]ccc23)c1C
InChIInChI=1S/C12H13N5/c1-7-8(2)16-17-11(7)15-10-4-6-14-12-9(10)3-5-13-12/h3-6H,1-2H3,(H3,13,14,15,16,17)
InChIKeySUFCXVOCIXGJIT-UHFFFAOYSA-N
XLogP2.65
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 91800729) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is Cc1[nH]nc(Nc2ccnc3[nH]ccc23)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is SUFCXVOCIXGJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-7-8(2)16-17-11(7)15-10-4-6-14-12-9(10)3-5-13-12/h3-6H,1-2H3,(H3,13,14,15,16,17).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 91800729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).