N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide

C23H30N8OS — CID 163464622

IUPACN-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCn1cnc2c1C=C(C(=O)NC(C)c1cnc(Nc3cnc(C(C)(C)C)nc3)s1)N(C)C2
InChIInChI=1S/C23H30N8OS/c1-7-31-13-27-16-12-30(6)18(8-17(16)31)20(32)28-14(2)19-11-26-22(33-19)29-15-9-24-21(25-10-15)23(3,4)5/h8-11,13-14H,7,12H2,1-6H3,(H,26,29)(H,28,32)
InChIKeyBRMCOFZEFJCCJR-UHFFFAOYSA-N
MW466.62 g/mol
LogP3.85
Rot. Bonds6

About N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide

N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 163464622) has the molecular formula C23H30N8OS and a molecular weight of 466.62 g/mol. Its IUPAC name is N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID163464622
Molecular FormulaC23H30N8OS
Molecular Weight466.62 g/mol
Exact Mass466.23
IUPAC NameN-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCn1cnc2c1C=C(C(=O)NC(C)c1cnc(Nc3cnc(C(C)(C)C)nc3)s1)N(C)C2
InChIInChI=1S/C23H30N8OS/c1-7-31-13-27-16-12-30(6)18(8-17(16)31)20(32)28-14(2)19-11-26-22(33-19)29-15-9-24-21(25-10-15)23(3,4)5/h8-11,13-14H,7,12H2,1-6H3,(H,26,29)(H,28,32)
InChIKeyBRMCOFZEFJCCJR-UHFFFAOYSA-N
XLogP3.85
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide (CID 163464622) is N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide is CCn1cnc2c1C=C(C(=O)NC(C)c1cnc(Nc3cnc(C(C)(C)C)nc3)s1)N(C)C2.
What is the InChIKey of N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is BRMCOFZEFJCCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8OS/c1-7-31-13-27-16-12-30(6)18(8-17(16)31)20(32)28-14(2)19-11-26-22(33-19)29-15-9-24-21(25-10-15)23(3,4)5/h8-11,13-14H,7,12H2,1-6H3,(H,26,29)(H,28,32).
What are the key properties of N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 466.62 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-tert-butylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]ethyl]-1-ethyl-5-methyl-4H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 163464622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).