N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide

C22H25N7OS — CID 88579118

IUPACN-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cccc(C(C)(C)N)c2)s1
InChIInChI=1S/C22H25N7OS/c1-13(27-20(30)16-9-18-17(10-24-16)26-12-29(18)4)19-11-25-21(31-19)28-15-7-5-6-14(8-15)22(2,3)23/h5-13H,23H2,1-4H3,(H,25,28)(H,27,30)
InChIKeyIQFHDNUHOIIJIQ-UHFFFAOYSA-N
MW435.56 g/mol
LogP3.85
Rot. Bonds6

About N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide

N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 88579118) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID88579118
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC NameN-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cccc(C(C)(C)N)c2)s1
InChIInChI=1S/C22H25N7OS/c1-13(27-20(30)16-9-18-17(10-24-16)26-12-29(18)4)19-11-25-21(31-19)28-15-7-5-6-14(8-15)22(2,3)23/h5-13H,23H2,1-4H3,(H,25,28)(H,27,30)
InChIKeyIQFHDNUHOIIJIQ-UHFFFAOYSA-N
XLogP3.85
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-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 N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (CID 88579118) is N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is CC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cccc(C(C)(C)N)c2)s1.
What is the InChIKey of N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is IQFHDNUHOIIJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7OS/c1-13(27-20(30)16-9-18-17(10-24-16)26-12-29(18)4)19-11-25-21(31-19)28-15-7-5-6-14(8-15)22(2,3)23/h5-13H,23H2,1-4H3,(H,25,28)(H,27,30).
What are the key properties of N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 435.56 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 88579118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).