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

C23H25F4N7O — CID 165129793

IUPACN-[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
SMILESCc1nc(NC(=O)c2cccc(-c3cnn(CC(F)(F)F)c3)n2)cc(N2CC[C@@H](C(C)(C)F)C2)n1
InChIInChI=1S/C23H25F4N7O/c1-14-29-19(9-20(30-14)33-8-7-16(12-33)22(2,3)24)32-21(35)18-6-4-5-17(31-18)15-10-28-34(11-15)13-23(25,26)27/h4-6,9-11,16H,7-8,12-13H2,1-3H3,(H,29,30,32,35)/t16-/m1/s1
InChIKeyLAPPBDUVYCYPDF-MRXNPFEDSA-N
MW491.49 g/mol
LogP4.43
Rot. Bonds6

About 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

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 (PubChem CID 165129793) has the molecular formula C23H25F4N7O and a molecular weight of 491.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID165129793
Molecular FormulaC23H25F4N7O
Molecular Weight491.49 g/mol
Exact Mass491.21
IUPAC NameN-[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
SMILESCc1nc(NC(=O)c2cccc(-c3cnn(CC(F)(F)F)c3)n2)cc(N2CC[C@@H](C(C)(C)F)C2)n1
InChIInChI=1S/C23H25F4N7O/c1-14-29-19(9-20(30-14)33-8-7-16(12-33)22(2,3)24)32-21(35)18-6-4-5-17(31-18)15-10-28-34(11-15)13-23(25,26)27/h4-6,9-11,16H,7-8,12-13H2,1-3H3,(H,29,30,32,35)/t16-/m1/s1
InChIKeyLAPPBDUVYCYPDF-MRXNPFEDSA-N
XLogP4.43
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129757
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
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
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
6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide
CID 165129853
4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 166492532
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
N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847527
N-(2,6-diethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364179
2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 67134421

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(NC(=O)c2cccc(-c3cnn(CC(F)(F)F)c3)n2)cc(N2CC[C@@H](C(C)(C)F)C2)n1.
What is the InChIKey of 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?
The InChIKey is LAPPBDUVYCYPDF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25F4N7O/c1-14-29-19(9-20(30-14)33-8-7-16(12-33)22(2,3)24)32-21(35)18-6-4-5-17(31-18)15-10-28-34(11-15)13-23(25,26)27/h4-6,9-11,16H,7-8,12-13H2,1-3H3,(H,29,30,32,35)/t16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 491.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165129793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).