2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide

C19H12Cl2F3N7O — CID 45138723

IUPAC2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCc1cc(C(F)(F)F)cc(NC(=O)c2cc3nc(Nc4c(Cl)cncc4Cl)[nH]c3cn2)n1
InChIInChI=1S/C19H12Cl2F3N7O/c1-8-2-9(19(22,23)24)3-15(27-8)30-17(32)13-4-12-14(7-26-13)29-18(28-12)31-16-10(20)5-25-6-11(16)21/h2-7H,1H3,(H,27,30,32)(H2,25,28,29,31)
InChIKeyPRZGBBACUUURBW-UHFFFAOYSA-N
MW482.25 g/mol
LogP5.38
Rot. Bonds4

About 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide

2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 45138723) has the molecular formula C19H12Cl2F3N7O and a molecular weight of 482.25 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID45138723
Molecular FormulaC19H12Cl2F3N7O
Molecular Weight482.25 g/mol
Exact Mass481.04
IUPAC Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCc1cc(C(F)(F)F)cc(NC(=O)c2cc3nc(Nc4c(Cl)cncc4Cl)[nH]c3cn2)n1
InChIInChI=1S/C19H12Cl2F3N7O/c1-8-2-9(19(22,23)24)3-15(27-8)30-17(32)13-4-12-14(7-26-13)29-18(28-12)31-16-10(20)5-25-6-11(16)21/h2-7H,1H3,(H,27,30,32)(H2,25,28,29,31)
InChIKeyPRZGBBACUUURBW-UHFFFAOYSA-N
XLogP5.38
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.25
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 45138723) is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is Cc1cc(C(F)(F)F)cc(NC(=O)c2cc3nc(Nc4c(Cl)cncc4Cl)[nH]c3cn2)n1.
What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is PRZGBBACUUURBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3N7O/c1-8-2-9(19(22,23)24)3-15(27-8)30-17(32)13-4-12-14(7-26-13)29-18(28-12)31-16-10(20)5-25-6-11(16)21/h2-7H,1H3,(H,27,30,32)(H2,25,28,29,31).
What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 482.25 g/mol, XLogP of 5.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 45138723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).