(5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C16H18F3N5O2 — CID 167972101

IUPAC(5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCCc3nccc(C(F)(F)F)n3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C16H18F3N5O2/c1-8-7-10-13(9(2)26-8)23-24-14(10)15(25)21-6-4-12-20-5-3-11(22-12)16(17,18)19/h3,5,8-9H,4,6-7H2,1-2H3,(H,21,25)(H,23,24)/t8-,9+/m1/s1
InChIKeyUNXFPGMGRPHWOE-BDAKNGLRSA-N
MW369.35 g/mol
LogP2.21
Rot. Bonds4

About (5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 167972101) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is (5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID167972101
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name(5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCCc3nccc(C(F)(F)F)n3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C16H18F3N5O2/c1-8-7-10-13(9(2)26-8)23-24-14(10)15(25)21-6-4-12-20-5-3-11(22-12)16(17,18)19/h3,5,8-9H,4,6-7H2,1-2H3,(H,21,25)(H,23,24)/t8-,9+/m1/s1
InChIKeyUNXFPGMGRPHWOE-BDAKNGLRSA-N
XLogP2.21
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 72900223
3-[(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 91844186
3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 171406210
5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 171579125
7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615593
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methanone
CID 145910809
(5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145910908
(5R,7S)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145911099
(5R,7S)-N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145911103
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 145911113
(5R,7S)-N-[2-(3-fluoro-2-pyridinyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145911138
(5R,7S)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145912792

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 167972101) is (5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NCCc3nccc(C(F)(F)F)n3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is UNXFPGMGRPHWOE-BDAKNGLRSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-8-7-10-13(9(2)26-8)23-24-14(10)15(25)21-6-4-12-20-5-3-11(22-12)16(17,18)19/h3,5,8-9H,4,6-7H2,1-2H3,(H,21,25)(H,23,24)/t8-,9+/m1/s1.
What are the key properties of (5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-5,7-dimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 167972101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).