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

C24H23F2N7O2 — CID 90462677

IUPAC2-(1,1-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C24H23F2N7O2/c1-15-18(19-13-22(32-7-9-35-10-8-32)33-21(31-19)4-6-29-33)12-17(14-28-15)30-23(34)16-3-5-27-20(11-16)24(2,25)26/h3-6,11-14H,7-10H2,1-2H3,(H,30,34)
InChIKeyMUGSHVQXVRLFFT-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.70
Rot. Bonds5

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

2-(1,1-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90462677) has the molecular formula C24H23F2N7O2 and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-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-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID90462677
Molecular FormulaC24H23F2N7O2
Molecular Weight479.49 g/mol
Exact Mass479.19
IUPAC Name2-(1,1-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C24H23F2N7O2/c1-15-18(19-13-22(32-7-9-35-10-8-32)33-21(31-19)4-6-29-33)12-17(14-28-15)30-23(34)16-3-5-27-20(11-16)24(2,25)26/h3-6,11-14H,7-10H2,1-2H3,(H,30,34)
InChIKeyMUGSHVQXVRLFFT-UHFFFAOYSA-N
XLogP3.70
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-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-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 90462677) is 2-(1,1-difluoroethyl)-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-difluoroethyl)-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-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is MUGSHVQXVRLFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O2/c1-15-18(19-13-22(32-7-9-35-10-8-32)33-21(31-19)4-6-29-33)12-17(14-28-15)30-23(34)16-3-5-27-20(11-16)24(2,25)26/h3-6,11-14H,7-10H2,1-2H3,(H,30,34).
What are the key properties of 2-(1,1-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(1,1-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90462677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).