7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one

C17H19F2N5O — CID 131694882

IUPAC7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2cccnc2)CCC12CN(Cc1cn[nH]c1)CC(F)(F)C2
InChIInChI=1S/C17H19F2N5O/c18-17(19)10-16(11-23(12-17)9-13-6-21-22-7-13)3-5-24(15(16)25)14-2-1-4-20-8-14/h1-2,4,6-8H,3,5,9-12H2,(H,21,22)
InChIKeyRNTPCDKBAPMWRN-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.07
Rot. Bonds3

About 7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one

7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131694882) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is 7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131694882
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC Name7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2cccnc2)CCC12CN(Cc1cn[nH]c1)CC(F)(F)C2
InChIInChI=1S/C17H19F2N5O/c18-17(19)10-16(11-23(12-17)9-13-6-21-22-7-13)3-5-24(15(16)25)14-2-1-4-20-8-14/h1-2,4,6-8H,3,5,9-12H2,(H,21,22)
InChIKeyRNTPCDKBAPMWRN-UHFFFAOYSA-N
XLogP2.07
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[10,10-difluoro-1-oxo-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]benzonitrile;2,2,2-trifluoroacetic acid
CID 171694263
7-[(3-fluorophenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472971
9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118741017
2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472963
7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472972
(5S)-7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451451
2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075103
8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131690179
7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one
CID 131694475
(5S,9S)-7-[(3,4-difluorophenyl)methyl]-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 155873808
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451472

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 131694882) is 7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2cccnc2)CCC12CN(Cc1cn[nH]c1)CC(F)(F)C2.
What is the InChIKey of 7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RNTPCDKBAPMWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c18-17(19)10-16(11-23(12-17)9-13-6-21-22-7-13)3-5-24(15(16)25)14-2-1-4-20-8-14/h1-2,4,6-8H,3,5,9-12H2,(H,21,22).
What are the key properties of 7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 347.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131694882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).