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

C24H22F2N6O2 — CID 90462847

IUPAC2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C24H22F2N6O2/c1-15-2-3-17(29-24(33)16-4-6-27-20(12-16)23(25)26)13-18(15)19-14-22(31-8-10-34-11-9-31)32-21(30-19)5-7-28-32/h2-7,12-14,23H,8-11H2,1H3,(H,29,33)
InChIKeyOQBWUQJBAXXYLL-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.13
Rot. Bonds5

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

2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide (PubChem CID 90462847) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide
PubChem CID90462847
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C24H22F2N6O2/c1-15-2-3-17(29-24(33)16-4-6-27-20(12-16)23(25)26)13-18(15)19-14-22(31-8-10-34-11-9-31)32-21(30-19)5-7-28-32/h2-7,12-14,23H,8-11H2,1H3,(H,29,33)
InChIKeyOQBWUQJBAXXYLL-UHFFFAOYSA-N
XLogP4.13
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide (CID 90462847) is 2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.
What is the InChIKey of 2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is OQBWUQJBAXXYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-15-2-3-17(29-24(33)16-4-6-27-20(12-16)23(25)26)13-18(15)19-14-22(31-8-10-34-11-9-31)32-21(30-19)5-7-28-32/h2-7,12-14,23H,8-11H2,1H3,(H,29,33).
What are the key properties of 2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90462847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).