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

C18H10Cl2F3N7O — CID 45137659

IUPAC2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1cc2nc(Nc3c(Cl)cncc3Cl)[nH]c2cn1
InChIInChI=1S/C18H10Cl2F3N7O/c19-9-5-24-6-10(20)15(9)30-17-27-11-4-12(26-7-13(11)28-17)16(31)29-14-3-8(1-2-25-14)18(21,22)23/h1-7H,(H,25,29,31)(H2,24,27,28,30)
InChIKeyNXOLQFSXWQCWFC-UHFFFAOYSA-N
MW468.23 g/mol
LogP5.07
Rot. Bonds4

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

2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 45137659) has the molecular formula C18H10Cl2F3N7O and a molecular weight of 468.23 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID45137659
Molecular FormulaC18H10Cl2F3N7O
Molecular Weight468.23 g/mol
Exact Mass467.03
IUPAC Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1cc2nc(Nc3c(Cl)cncc3Cl)[nH]c2cn1
InChIInChI=1S/C18H10Cl2F3N7O/c19-9-5-24-6-10(20)15(9)30-17-27-11-4-12(26-7-13(11)28-17)16(31)29-14-3-8(1-2-25-14)18(21,22)23/h1-7H,(H,25,29,31)(H2,24,27,28,30)
InChIKeyNXOLQFSXWQCWFC-UHFFFAOYSA-N
XLogP5.07
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.23
LogP ≤ 55.07
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-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 45137659) is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[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-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(Nc1cc(C(F)(F)F)ccn1)c1cc2nc(Nc3c(Cl)cncc3Cl)[nH]c2cn1.
What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is NXOLQFSXWQCWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F3N7O/c19-9-5-24-6-10(20)15(9)30-17-27-11-4-12(26-7-13(11)28-17)16(31)29-14-3-8(1-2-25-14)18(21,22)23/h1-7H,(H,25,29,31)(H2,24,27,28,30).
What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 468.23 g/mol, XLogP of 5.07, 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-[4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 45137659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).