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

C25H26FN7O2 — CID 90456329

IUPAC2-(2-fluoropropan-2-yl)-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)(C)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C25H26FN7O2/c1-16-19(20-14-23(32-8-10-35-11-9-32)33-22(31-20)5-7-29-33)13-18(15-28-16)30-24(34)17-4-6-27-21(12-17)25(2,3)26/h4-7,12-15H,8-11H2,1-3H3,(H,30,34)
InChIKeyPNCDPHGISBXBNA-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.79
Rot. Bonds5

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

2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90456329) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID90456329
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC Name2-(2-fluoropropan-2-yl)-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)(C)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C25H26FN7O2/c1-16-19(20-14-23(32-8-10-35-11-9-32)33-22(31-20)5-7-29-33)13-18(15-28-16)30-24(34)17-4-6-27-21(12-17)25(2,3)26/h4-7,12-15H,8-11H2,1-3H3,(H,30,34)
InChIKeyPNCDPHGISBXBNA-UHFFFAOYSA-N
XLogP3.79
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 90456329) is 2-(2-fluoropropan-2-yl)-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-(2-fluoropropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-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)(C)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is PNCDPHGISBXBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-16-19(20-14-23(32-8-10-35-11-9-32)33-22(31-20)5-7-29-33)13-18(15-28-16)30-24(34)17-4-6-27-21(12-17)25(2,3)26/h4-7,12-15H,8-11H2,1-3H3,(H,30,34).
What are the key properties of 2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90456329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).