2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

C17H20F2N6O2 — CID 92578333

IUPAC2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESO=C(NC1CCN(c2ncc3c(n2)CCOC3)CC1)c1ccnn1C(F)F
InChIInChI=1S/C17H20F2N6O2/c18-16(19)25-14(1-5-21-25)15(26)22-12-2-6-24(7-3-12)17-20-9-11-10-27-8-4-13(11)23-17/h1,5,9,12,16H,2-4,6-8,10H2,(H,22,26)
InChIKeyYKISNZPASROSIS-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.54
Rot. Bonds4

About 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 92578333) has the molecular formula C17H20F2N6O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID92578333
Molecular FormulaC17H20F2N6O2
Molecular Weight378.38 g/mol
Exact Mass378.16
IUPAC Name2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESO=C(NC1CCN(c2ncc3c(n2)CCOC3)CC1)c1ccnn1C(F)F
InChIInChI=1S/C17H20F2N6O2/c18-16(19)25-14(1-5-21-25)15(26)22-12-2-6-24(7-3-12)17-20-9-11-10-27-8-4-13(11)23-17/h1,5,9,12,16H,2-4,6-8,10H2,(H,22,26)
InChIKeyYKISNZPASROSIS-UHFFFAOYSA-N
XLogP1.54
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (CID 92578333) is 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is O=C(NC1CCN(c2ncc3c(n2)CCOC3)CC1)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is YKISNZPASROSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N6O2/c18-16(19)25-14(1-5-21-25)15(26)22-12-2-6-24(7-3-12)17-20-9-11-10-27-8-4-13(11)23-17/h1,5,9,12,16H,2-4,6-8,10H2,(H,22,26).
What are the key properties of 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 92578333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).