(2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide

C12H14FN5O — CID 120928941

IUPAC(2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide
SMILESCn1ncc2c(N3C[C@H](F)C[C@H]3C(N)=O)ccnc21
InChIInChI=1S/C12H14FN5O/c1-17-12-8(5-16-17)9(2-3-15-12)18-6-7(13)4-10(18)11(14)19/h2-3,5,7,10H,4,6H2,1H3,(H2,14,19)/t7-,10+/m1/s1
InChIKeyCQTAZGCNRRPQDB-XCBNKYQSSA-N
MW263.28 g/mol
LogP0.37
Rot. Bonds2

About (2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 120928941) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide
PubChem CID120928941
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name(2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide
SMILESCn1ncc2c(N3C[C@H](F)C[C@H]3C(N)=O)ccnc21
InChIInChI=1S/C12H14FN5O/c1-17-12-8(5-16-17)9(2-3-15-12)18-6-7(13)4-10(18)11(14)19/h2-3,5,7,10H,4,6H2,1H3,(H2,14,19)/t7-,10+/m1/s1
InChIKeyCQTAZGCNRRPQDB-XCBNKYQSSA-N
XLogP0.37
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide (CID 120928941) is (2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide is Cn1ncc2c(N3C[C@H](F)C[C@H]3C(N)=O)ccnc21.
What is the InChIKey of (2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is CQTAZGCNRRPQDB-XCBNKYQSSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-17-12-8(5-16-17)9(2-3-15-12)18-6-7(13)4-10(18)11(14)19/h2-3,5,7,10H,4,6H2,1H3,(H2,14,19)/t7-,10+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120928941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).