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

C24H25N7OS — CID 88579322

IUPACN-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cc(C#N)cc(C(C)(C)C)c2)s1
InChIInChI=1S/C24H25N7OS/c1-14(29-22(32)18-9-20-19(11-26-18)28-13-31(20)5)21-12-27-23(33-21)30-17-7-15(10-25)6-16(8-17)24(2,3)4/h6-9,11-14H,1-5H3,(H,27,30)(H,29,32)
InChIKeyPDTYQYZQSSELKP-UHFFFAOYSA-N
MW459.58 g/mol
LogP4.83
Rot. Bonds5

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

N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 88579322) has the molecular formula C24H25N7OS and a molecular weight of 459.58 g/mol. Its IUPAC name is N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID88579322
Molecular FormulaC24H25N7OS
Molecular Weight459.58 g/mol
Exact Mass459.18
IUPAC NameN-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cc(C#N)cc(C(C)(C)C)c2)s1
InChIInChI=1S/C24H25N7OS/c1-14(29-22(32)18-9-20-19(11-26-18)28-13-31(20)5)21-12-27-23(33-21)30-17-7-15(10-25)6-16(8-17)24(2,3)4/h6-9,11-14H,1-5H3,(H,27,30)(H,29,32)
InChIKeyPDTYQYZQSSELKP-UHFFFAOYSA-N
XLogP4.83
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (CID 88579322) is N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is CC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cc(C#N)cc(C(C)(C)C)c2)s1.
What is the InChIKey of N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is PDTYQYZQSSELKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7OS/c1-14(29-22(32)18-9-20-19(11-26-18)28-13-31(20)5)21-12-27-23(33-21)30-17-7-15(10-25)6-16(8-17)24(2,3)4/h6-9,11-14H,1-5H3,(H,27,30)(H,29,32).
What are the key properties of N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 459.58 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 88579322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).