1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide

C17H14N6OS — CID 123364686

IUPAC1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCc1nc(-c2cncnc2)sc1-c1nc(C(N)=O)cc2c1ccn2C
InChIInChI=1S/C17H14N6OS/c1-9-15(25-17(21-9)10-6-19-8-20-7-10)14-11-3-4-23(2)13(11)5-12(22-14)16(18)24/h3-8H,1-2H3,(H2,18,24)
InChIKeyFSAYDDXABFYKIJ-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.56
Rot. Bonds3

About 1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide

1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 123364686) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID123364686
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC Name1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCc1nc(-c2cncnc2)sc1-c1nc(C(N)=O)cc2c1ccn2C
InChIInChI=1S/C17H14N6OS/c1-9-15(25-17(21-9)10-6-19-8-20-7-10)14-11-3-4-23(2)13(11)5-12(22-14)16(18)24/h3-8H,1-2H3,(H2,18,24)
InChIKeyFSAYDDXABFYKIJ-UHFFFAOYSA-N
XLogP2.56
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide 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 1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide (CID 123364686) is 1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide is Cc1nc(-c2cncnc2)sc1-c1nc(C(N)=O)cc2c1ccn2C.
What is the InChIKey of 1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is FSAYDDXABFYKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c1-9-15(25-17(21-9)10-6-19-8-20-7-10)14-11-3-4-23(2)13(11)5-12(22-14)16(18)24/h3-8H,1-2H3,(H2,18,24).
What are the key properties of 1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide?
1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 123364686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).