(2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide

C14H20FN5O2 — CID 137205759

IUPAC(2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide
SMILESCC1Cc2c(NC(=O)[C@@H]3C[C@@H](F)CN3C)nn(C)c2NC1=O
InChIInChI=1S/C14H20FN5O2/c1-7-4-9-11(18-20(3)12(9)17-13(7)21)16-14(22)10-5-8(15)6-19(10)2/h7-8,10H,4-6H2,1-3H3,(H,17,21)(H,16,18,22)/t7?,8-,10+/m1/s1
InChIKeyTWONFDVNIXVYMN-VWHDNNRLSA-N
MW309.35 g/mol
LogP0.53
Rot. Bonds2

About (2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide

(2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide (PubChem CID 137205759) has the molecular formula C14H20FN5O2 and a molecular weight of 309.35 g/mol. Its IUPAC name is (2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide
PubChem CID137205759
Molecular FormulaC14H20FN5O2
Molecular Weight309.35 g/mol
Exact Mass309.16
IUPAC Name(2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide
SMILESCC1Cc2c(NC(=O)[C@@H]3C[C@@H](F)CN3C)nn(C)c2NC1=O
InChIInChI=1S/C14H20FN5O2/c1-7-4-9-11(18-20(3)12(9)17-13(7)21)16-14(22)10-5-8(15)6-19(10)2/h7-8,10H,4-6H2,1-3H3,(H,17,21)(H,16,18,22)/t7?,8-,10+/m1/s1
InChIKeyTWONFDVNIXVYMN-VWHDNNRLSA-N
XLogP0.53
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide (CID 137205759) is (2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide is CC1Cc2c(NC(=O)[C@@H]3C[C@@H](F)CN3C)nn(C)c2NC1=O.
What is the InChIKey of (2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide?
The InChIKey is TWONFDVNIXVYMN-VWHDNNRLSA-N. The full InChI is InChI=1S/C14H20FN5O2/c1-7-4-9-11(18-20(3)12(9)17-13(7)21)16-14(22)10-5-8(15)6-19(10)2/h7-8,10H,4-6H2,1-3H3,(H,17,21)(H,16,18,22)/t7?,8-,10+/m1/s1.
What are the key properties of (2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide?
(2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)-4-fluoro-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 137205759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).