1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

C14H15FN6O3 — CID 118323439

IUPAC1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(N)=O)c2cnccc12
InChIInChI=1S/C14H15FN6O3/c15-7-3-9(13(16)23)20(5-7)11(22)6-21-10-4-18-2-1-8(10)12(19-21)14(17)24/h1-2,4,7,9H,3,5-6H2,(H2,16,23)(H2,17,24)/t7-,9+/m1/s1
InChIKeyHZHCKQAZDCSUIQ-APPZFPTMSA-N
MW334.31 g/mol
LogP-1.05
Rot. Bonds4

About 1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118323439) has the molecular formula C14H15FN6O3 and a molecular weight of 334.31 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118323439
Molecular FormulaC14H15FN6O3
Molecular Weight334.31 g/mol
Exact Mass334.12
IUPAC Name1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(N)=O)c2cnccc12
InChIInChI=1S/C14H15FN6O3/c15-7-3-9(13(16)23)20(5-7)11(22)6-21-10-4-18-2-1-8(10)12(19-21)14(17)24/h1-2,4,7,9H,3,5-6H2,(H2,16,23)(H2,17,24)/t7-,9+/m1/s1
InChIKeyHZHCKQAZDCSUIQ-APPZFPTMSA-N
XLogP-1.05
TPSA137.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 118323439) is 1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(N)=O)c2cnccc12.
What is the InChIKey of 1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is HZHCKQAZDCSUIQ-APPZFPTMSA-N. The full InChI is InChI=1S/C14H15FN6O3/c15-7-3-9(13(16)23)20(5-7)11(22)6-21-10-4-18-2-1-8(10)12(19-21)14(17)24/h1-2,4,7,9H,3,5-6H2,(H2,16,23)(H2,17,24)/t7-,9+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 334.31 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118323439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).