2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide

C25H25F2N7O2 — CID 90462946

IUPAC2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)n4nccc4n3)c2)ccn1
InChIInChI=1S/C25H25F2N7O2/c1-3-25(26,27)21-12-17(4-6-28-21)24(35)31-18-13-19(16(2)29-15-18)20-14-23(33-8-10-36-11-9-33)34-22(32-20)5-7-30-34/h4-7,12-15H,3,8-11H2,1-2H3,(H,31,35)
InChIKeyZPWXHBDTGQTVBV-UHFFFAOYSA-N
MW493.52 g/mol
LogP4.09
Rot. Bonds6

About 2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide

2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90462946) has the molecular formula C25H25F2N7O2 and a molecular weight of 493.52 g/mol. Its IUPAC name is 2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID90462946
Molecular FormulaC25H25F2N7O2
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC Name2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)n4nccc4n3)c2)ccn1
InChIInChI=1S/C25H25F2N7O2/c1-3-25(26,27)21-12-17(4-6-28-21)24(35)31-18-13-19(16(2)29-15-18)20-14-23(33-8-10-36-11-9-33)34-22(32-20)5-7-30-34/h4-7,12-15H,3,8-11H2,1-2H3,(H,31,35)
InChIKeyZPWXHBDTGQTVBV-UHFFFAOYSA-N
XLogP4.09
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 90462946) is 2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide is CCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)n4nccc4n3)c2)ccn1.
What is the InChIKey of 2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is ZPWXHBDTGQTVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2/c1-3-25(26,27)21-12-17(4-6-28-21)24(35)31-18-13-19(16(2)29-15-18)20-14-23(33-8-10-36-11-9-33)34-22(32-20)5-7-30-34/h4-7,12-15H,3,8-11H2,1-2H3,(H,31,35).
What are the key properties of 2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90462946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).