N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

C26H30F3N7O2 — CID 165129854

IUPACN-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(c2cc(NC(=O)c3cccc(-c4cnn(CC(F)(F)F)c4)n3)nc(C3CC3)n2)C[C@H](C)C1(C)O
InChIInChI=1S/C26H30F3N7O2/c1-15-11-35(12-16(2)25(15,3)38)22-9-21(32-23(34-22)17-7-8-17)33-24(37)20-6-4-5-19(31-20)18-10-30-36(13-18)14-26(27,28)29/h4-6,9-10,13,15-17,38H,7-8,11-12,14H2,1-3H3,(H,32,33,34,37)/t15-,16+,25?
InChIKeyGHHWHZFYMFLSKD-STPAVAKGSA-N
MW529.57 g/mol
LogP4.27
Rot. Bonds6

About N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 165129854) has the molecular formula C26H30F3N7O2 and a molecular weight of 529.57 g/mol. Its IUPAC name is N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID165129854
Molecular FormulaC26H30F3N7O2
Molecular Weight529.57 g/mol
Exact Mass529.24
IUPAC NameN-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(c2cc(NC(=O)c3cccc(-c4cnn(CC(F)(F)F)c4)n3)nc(C3CC3)n2)C[C@H](C)C1(C)O
InChIInChI=1S/C26H30F3N7O2/c1-15-11-35(12-16(2)25(15,3)38)22-9-21(32-23(34-22)17-7-8-17)33-24(37)20-6-4-5-19(31-20)18-10-30-36(13-18)14-26(27,28)29/h4-6,9-10,13,15-17,38H,7-8,11-12,14H2,1-3H3,(H,32,33,34,37)/t15-,16+,25?
InChIKeyGHHWHZFYMFLSKD-STPAVAKGSA-N
XLogP4.27
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.57
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[6-[(3R)-3-(2-fluoropropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129793
N-[5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129742
N-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129741
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 118060953
4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 166492532
ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129744
N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129757
(2S)-2-tert-butyl-6-hydroxy-4-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepane-1-carboxylic acid
CID 122509205
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 146424772
6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide
CID 168972272
6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]pyridine-2-carboxamide
CID 146437520
N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide
CID 92549440

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 165129854) is N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is C[C@@H]1CN(c2cc(NC(=O)c3cccc(-c4cnn(CC(F)(F)F)c4)n3)nc(C3CC3)n2)C[C@H](C)C1(C)O.
What is the InChIKey of N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is GHHWHZFYMFLSKD-STPAVAKGSA-N. The full InChI is InChI=1S/C26H30F3N7O2/c1-15-11-35(12-16(2)25(15,3)38)22-9-21(32-23(34-22)17-7-8-17)33-24(37)20-6-4-5-19(31-20)18-10-30-36(13-18)14-26(27,28)29/h4-6,9-10,13,15-17,38H,7-8,11-12,14H2,1-3H3,(H,32,33,34,37)/t15-,16+,25?.
What are the key properties of N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 529.57 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-6-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165129854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).