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

C23H21F2N7O2 — CID 90464933

IUPAC2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C23H21F2N7O2/c1-14-17(11-16(13-27-14)29-23(33)15-2-4-26-19(10-15)22(24)25)18-12-21(31-6-8-34-9-7-31)32-20(30-18)3-5-28-32/h2-5,10-13,22H,6-9H2,1H3,(H,29,33)
InChIKeyKZCBXFJPHWUWFQ-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.52
Rot. Bonds5

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

2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90464933) has the molecular formula C23H21F2N7O2 and a molecular weight of 465.46 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID90464933
Molecular FormulaC23H21F2N7O2
Molecular Weight465.46 g/mol
Exact Mass465.17
IUPAC Name2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C23H21F2N7O2/c1-14-17(11-16(13-27-14)29-23(33)15-2-4-26-19(10-15)22(24)25)18-12-21(31-6-8-34-9-7-31)32-20(30-18)3-5-28-32/h2-5,10-13,22H,6-9H2,1H3,(H,29,33)
InChIKeyKZCBXFJPHWUWFQ-UHFFFAOYSA-N
XLogP3.52
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 90464933) is 2-(difluoromethyl)-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-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-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(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.
What is the InChIKey of 2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is KZCBXFJPHWUWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2/c1-14-17(11-16(13-27-14)29-23(33)15-2-4-26-19(10-15)22(24)25)18-12-21(31-6-8-34-9-7-31)32-20(30-18)3-5-28-32/h2-5,10-13,22H,6-9H2,1H3,(H,29,33).
What are the key properties of 2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90464933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).