(4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C15H19N3O2 — CID 136899708

IUPAC(4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)C[C@H]1CC(=O)Nc2c1cnn2Cc1ccco1
InChIInChI=1S/C15H19N3O2/c1-10(2)6-11-7-14(19)17-15-13(11)8-16-18(15)9-12-4-3-5-20-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyADHRDRNWPAVRSK-NSHDSACASA-N
MW273.34 g/mol
LogP3.00
Rot. Bonds4

About (4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136899708) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136899708
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)C[C@H]1CC(=O)Nc2c1cnn2Cc1ccco1
InChIInChI=1S/C15H19N3O2/c1-10(2)6-11-7-14(19)17-15-13(11)8-16-18(15)9-12-4-3-5-20-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyADHRDRNWPAVRSK-NSHDSACASA-N
XLogP3.00
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

(4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899894
(4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899610
4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634270
4-(2-chloro-6-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634491
(4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899877
(4S)-4-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899652
4-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634535
(4S)-1-(furan-2-ylmethyl)-4-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899727
(4S)-4-phenyl-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899685
(4S)-4-(1-methylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899655
1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
CID 64964752
1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135783975

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136899708) is (4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC(C)C[C@H]1CC(=O)Nc2c1cnn2Cc1ccco1.
What is the InChIKey of (4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ADHRDRNWPAVRSK-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)6-11-7-14(19)17-15-13(11)8-16-18(15)9-12-4-3-5-20-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 273.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136899708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).