3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide

C24H22F2N6O2 — CID 90463206

IUPAC3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C24H22F2N6O2/c1-15-19(12-18(14-27-15)29-24(33)17-4-2-3-16(11-17)23(25)26)20-13-22(31-7-9-34-10-8-31)32-21(30-20)5-6-28-32/h2-6,11-14,23H,7-10H2,1H3,(H,29,33)
InChIKeyWOERSGXKJYKTFB-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.13
Rot. Bonds5

About 3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide

3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide (PubChem CID 90463206) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide
PubChem CID90463206
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C24H22F2N6O2/c1-15-19(12-18(14-27-15)29-24(33)17-4-2-3-16(11-17)23(25)26)20-13-22(31-7-9-34-10-8-31)32-21(30-20)5-6-28-32/h2-6,11-14,23H,7-10H2,1H3,(H,29,33)
InChIKeyWOERSGXKJYKTFB-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 3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide (CID 90463206) is 3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide is Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.
What is the InChIKey of 3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide?
The InChIKey is WOERSGXKJYKTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-15-19(12-18(14-27-15)29-24(33)17-4-2-3-16(11-17)23(25)26)20-13-22(31-7-9-34-10-8-31)32-21(30-20)5-6-28-32/h2-6,11-14,23H,7-10H2,1H3,(H,29,33).
What are the key properties of 3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide?
3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide 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 3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 90463206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).