5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19F2N5O2 — CID 58063467

IUPAC5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1cnn2ccc(NCc3cc(F)cc(F)c3)nc12
InChIInChI=1S/C19H19F2N5O2/c20-13-7-12(8-14(21)9-13)10-22-17-1-4-26-18(25-17)16(11-23-26)19(27)24-15-2-5-28-6-3-15/h1,4,7-9,11,15H,2-3,5-6,10H2,(H,22,25)(H,24,27)
InChIKeyDBWQLEXMSBFFLR-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.53
Rot. Bonds5

About 5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063467) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063467
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1cnn2ccc(NCc3cc(F)cc(F)c3)nc12
InChIInChI=1S/C19H19F2N5O2/c20-13-7-12(8-14(21)9-13)10-22-17-1-4-26-18(25-17)16(11-23-26)19(27)24-15-2-5-28-6-3-15/h1,4,7-9,11,15H,2-3,5-6,10H2,(H,22,25)(H,24,27)
InChIKeyDBWQLEXMSBFFLR-UHFFFAOYSA-N
XLogP2.53
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063467) is 5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCOCC1)c1cnn2ccc(NCc3cc(F)cc(F)c3)nc12.
What is the InChIKey of 5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DBWQLEXMSBFFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c20-13-7-12(8-14(21)9-13)10-22-17-1-4-26-18(25-17)16(11-23-26)19(27)24-15-2-5-28-6-3-15/h1,4,7-9,11,15H,2-3,5-6,10H2,(H,22,25)(H,24,27).
What are the key properties of 5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).