6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide

C17H14F3N7O3S — CID 165415137

IUPAC6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)C(F)(F)F)n1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C17H14F3N7O3S/c18-17(19,20)31(29,30)27-6-5-14(26-27)25-16(28)15-13(23-11-7-21-9-22-8-11)4-3-12(24-15)10-1-2-10/h3-10,23H,1-2H2,(H,25,26,28)
InChIKeyUWYNNHRLOGYOPW-UHFFFAOYSA-N
MW453.41 g/mol
LogP2.64
Rot. Bonds6

About 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 165415137) has the molecular formula C17H14F3N7O3S and a molecular weight of 453.41 g/mol. Its IUPAC name is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID165415137
Molecular FormulaC17H14F3N7O3S
Molecular Weight453.41 g/mol
Exact Mass453.08
IUPAC Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)C(F)(F)F)n1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C17H14F3N7O3S/c18-17(19,20)31(29,30)27-6-5-14(26-27)25-16(28)15-13(23-11-7-21-9-22-8-11)4-3-12(24-15)10-1-2-10/h3-10,23H,1-2H2,(H,25,26,28)
InChIKeyUWYNNHRLOGYOPW-UHFFFAOYSA-N
XLogP2.64
TPSA131.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 11709781
6-cyclopropyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415173
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415347
methyl 4-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 70099200
6-cyclopropyl-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329883
6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415245
6-cyclopropyl-N-[6-cyclopropyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548335
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-quinolin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328817
N-[1-amino-4-(methylamino)-4-oxo-3-(3,3,3-trifluoropropylimino)but-1-en-2-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 162567491
methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate
CID 70099202
6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548241
[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443173

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide (CID 165415137) is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(S(=O)(=O)C(F)(F)F)n1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is UWYNNHRLOGYOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7O3S/c18-17(19,20)31(29,30)27-6-5-14(26-27)25-16(28)15-13(23-11-7-21-9-22-8-11)4-3-12(24-15)10-1-2-10/h3-10,23H,1-2H2,(H,25,26,28).
What are the key properties of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide?
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 453.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165415137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).