N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C24H22F3N7O2 — CID 118887161

IUPACN-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2c(cnn2C)n1
InChIInChI=1S/C24H22F3N7O2/c1-14-3-4-16(30-23(35)15-5-6-28-19(11-15)24(25,26)27)12-17(14)21-31-18-13-29-33(2)20(18)22(32-21)34-7-9-36-10-8-34/h3-6,11-13H,7-10H2,1-2H3,(H,30,35)
InChIKeyPVUFAKUXUJIFSH-UHFFFAOYSA-N
MW497.48 g/mol
LogP3.84
Rot. Bonds4

About N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 118887161) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID118887161
Molecular FormulaC24H22F3N7O2
Molecular Weight497.48 g/mol
Exact Mass497.18
IUPAC NameN-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2c(cnn2C)n1
InChIInChI=1S/C24H22F3N7O2/c1-14-3-4-16(30-23(35)15-5-6-28-19(11-15)24(25,26)27)12-17(14)21-31-18-13-29-33(2)20(18)22(32-21)34-7-9-36-10-8-34/h3-6,11-13H,7-10H2,1-2H3,(H,30,35)
InChIKeyPVUFAKUXUJIFSH-UHFFFAOYSA-N
XLogP3.84
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 118887161) is N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2c(cnn2C)n1.
What is the InChIKey of N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is PVUFAKUXUJIFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c1-14-3-4-16(30-23(35)15-5-6-28-19(11-15)24(25,26)27)12-17(14)21-31-18-13-29-33(2)20(18)22(32-21)34-7-9-36-10-8-34/h3-6,11-13H,7-10H2,1-2H3,(H,30,35).
What are the key properties of N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 118887161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).