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

C17H20F2N6O2 — CID 110239224

IUPAC2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(NC1CCCN(c2ncc3c(n2)CCOC3)C1)c1ccnn1C(F)F
InChIInChI=1S/C17H20F2N6O2/c18-16(19)25-14(3-5-21-25)15(26)22-12-2-1-6-24(9-12)17-20-8-11-10-27-7-4-13(11)23-17/h3,5,8,12,16H,1-2,4,6-7,9-10H2,(H,22,26)
InChIKeyGLRYTRZSESBBMV-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-3-yl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 110239224) 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-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID110239224
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-3-yl]pyrazole-3-carboxamide
SMILESO=C(NC1CCCN(c2ncc3c(n2)CCOC3)C1)c1ccnn1C(F)F
InChIInChI=1S/C17H20F2N6O2/c18-16(19)25-14(3-5-21-25)15(26)22-12-2-1-6-24(9-12)17-20-8-11-10-27-7-4-13(11)23-17/h3,5,8,12,16H,1-2,4,6-7,9-10H2,(H,22,26)
InChIKeyGLRYTRZSESBBMV-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

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Related Compounds

[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118742658
[7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118745120
[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118745146
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742657
[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118745145
2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 166132358
5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 171579125
N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 92553778
N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 92553779
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92566042
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92566043
2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 92578333

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-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]pyrazole-3-carboxamide (CID 110239224) is 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-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-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]pyrazole-3-carboxamide is O=C(NC1CCCN(c2ncc3c(n2)CCOC3)C1)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is GLRYTRZSESBBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N6O2/c18-16(19)25-14(3-5-21-25)15(26)22-12-2-1-6-24(9-12)17-20-8-11-10-27-7-4-13(11)23-17/h3,5,8,12,16H,1-2,4,6-7,9-10H2,(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-3-yl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-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-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 110239224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).