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

C20H15Cl2F3N8O — CID 45138870

IUPAC2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(C)c1cc(C(F)(F)F)cc(NC(=O)c2cc3nc(Nc4c(Cl)cncc4Cl)[nH]c3cn2)n1
InChIInChI=1S/C20H15Cl2F3N8O/c1-33(2)16-4-9(20(23,24)25)3-15(30-16)31-18(34)13-5-12-14(8-27-13)29-19(28-12)32-17-10(21)6-26-7-11(17)22/h3-8H,1-2H3,(H,30,31,34)(H2,26,28,29,32)
InChIKeyUZSKRENCUVKQHU-UHFFFAOYSA-N
MW511.30 g/mol
LogP5.14
Rot. Bonds5

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

2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 45138870) has the molecular formula C20H15Cl2F3N8O and a molecular weight of 511.30 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID45138870
Molecular FormulaC20H15Cl2F3N8O
Molecular Weight511.30 g/mol
Exact Mass510.07
IUPAC Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(C)c1cc(C(F)(F)F)cc(NC(=O)c2cc3nc(Nc4c(Cl)cncc4Cl)[nH]c3cn2)n1
InChIInChI=1S/C20H15Cl2F3N8O/c1-33(2)16-4-9(20(23,24)25)3-15(30-16)31-18(34)13-5-12-14(8-27-13)29-19(28-12)32-17-10(21)6-26-7-11(17)22/h3-8H,1-2H3,(H,30,31,34)(H2,26,28,29,32)
InChIKeyUZSKRENCUVKQHU-UHFFFAOYSA-N
XLogP5.14
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.30
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(dimethylamino)-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-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 45138870) is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is CN(C)c1cc(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-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is UZSKRENCUVKQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F3N8O/c1-33(2)16-4-9(20(23,24)25)3-15(30-16)31-18(34)13-5-12-14(8-27-13)29-19(28-12)32-17-10(21)6-26-7-11(17)22/h3-8H,1-2H3,(H,30,31,34)(H2,26,28,29,32).
What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 511.30 g/mol, XLogP of 5.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 45138870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).