2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide

C19H11Cl2F3N6O — CID 58506852

IUPAC2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1cc2cc(Nc3c(Cl)cncc3Cl)[nH]c2cn1
InChIInChI=1S/C19H11Cl2F3N6O/c20-11-6-25-7-12(21)17(11)29-16-4-9-3-13(27-8-14(9)28-16)18(31)30-15-5-10(1-2-26-15)19(22,23)24/h1-8,28H,(H,25,29)(H,26,30,31)
InChIKeyGTEHVLBNVNAQST-UHFFFAOYSA-N
MW467.24 g/mol
LogP5.67
Rot. Bonds4

About 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide

2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 58506852) has the molecular formula C19H11Cl2F3N6O and a molecular weight of 467.24 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID58506852
Molecular FormulaC19H11Cl2F3N6O
Molecular Weight467.24 g/mol
Exact Mass466.03
IUPAC Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1cc2cc(Nc3c(Cl)cncc3Cl)[nH]c2cn1
InChIInChI=1S/C19H11Cl2F3N6O/c20-11-6-25-7-12(21)17(11)29-16-4-9-3-13(27-8-14(9)28-16)18(31)30-15-5-10(1-2-26-15)19(22,23)24/h1-8,28H,(H,25,29)(H,26,30,31)
InChIKeyGTEHVLBNVNAQST-UHFFFAOYSA-N
XLogP5.67
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.24
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dichloro-4-pyridinyl)amino]-6-(difluoromethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide
CID 87945394
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide
CID 175455416
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 102674347
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45137822
2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
CID 75508828
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide (CID 58506852) is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide is O=C(Nc1cc(C(F)(F)F)ccn1)c1cc2cc(Nc3c(Cl)cncc3Cl)[nH]c2cn1.
What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is GTEHVLBNVNAQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N6O/c20-11-6-25-7-12(21)17(11)29-16-4-9-3-13(27-8-14(9)28-16)18(31)30-15-5-10(1-2-26-15)19(22,23)24/h1-8,28H,(H,25,29)(H,26,30,31).
What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 467.24 g/mol, XLogP of 5.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 58506852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).