N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide

C19H19F3N8O — CID 118308152

IUPACN-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESC[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1
InChIInChI=1S/C19H19F3N8O/c1-18(29-15-11-24-14(10-25-15)19(20,21)22)6-2-5-13(18)28-17(31)16-12(4-3-7-23-16)30-26-8-9-27-30/h3-4,7-11,13H,2,5-6H2,1H3,(H,25,29)(H,28,31)/t13-,18-/m0/s1
InChIKeyUNZFNWZMBMDMAR-UGSOOPFHSA-N
MW432.41 g/mol
LogP2.62
Rot. Bonds5

About N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide

N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide (PubChem CID 118308152) has the molecular formula C19H19F3N8O and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide
PubChem CID118308152
Molecular FormulaC19H19F3N8O
Molecular Weight432.41 g/mol
Exact Mass432.16
IUPAC NameN-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESC[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1
InChIInChI=1S/C19H19F3N8O/c1-18(29-15-11-24-14(10-25-15)19(20,21)22)6-2-5-13(18)28-17(31)16-12(4-3-7-23-16)30-26-8-9-27-30/h3-4,7-11,13H,2,5-6H2,1H3,(H,25,29)(H,28,31)/t13-,18-/m0/s1
InChIKeyUNZFNWZMBMDMAR-UGSOOPFHSA-N
XLogP2.62
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S,2S)-2-{[3-Ethyl-5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]-3-(2H-1,2,3-triazol-2-yl)pyridine-2-carboxamide
CID 118308154
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(triazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 71547422
6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 162639718
Roche-Dataset for PDE10A, Compound 603
CID 165368475
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(4,4,4-trifluorobutyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415066
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415070
6-cyclopropyl-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415141
6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 123148458
[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 73352183
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[4,6-dimethyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 118733351
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-2-(triazol-2-yl)pyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 118733354
6-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 54761644

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide (CID 118308152) is N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide is C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1.
What is the InChIKey of N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The InChIKey is UNZFNWZMBMDMAR-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H19F3N8O/c1-18(29-15-11-24-14(10-25-15)19(20,21)22)6-2-5-13(18)28-17(31)16-12(4-3-7-23-16)30-26-8-9-27-30/h3-4,7-11,13H,2,5-6H2,1H3,(H,25,29)(H,28,31)/t13-,18-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide has a molecular weight of 432.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118308152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).