(4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one

C24H26FN5O2 — CID 92631623

IUPAC(4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCc1nn(C)c2nc(C3CCN(C(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)CC3)ccc12
InChIInChI=1S/C24H26FN5O2/c1-15-18-7-8-20(26-23(18)28(2)27-15)16-9-11-29(12-10-16)24(32)17-13-22(31)30(14-17)21-6-4-3-5-19(21)25/h3-8,16-17H,9-14H2,1-2H3/t17-/m0/s1
InChIKeyOFFDLIZSVYLFSH-KRWDZBQOSA-N
MW435.50 g/mol
LogP3.17
Rot. Bonds3

About (4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one

(4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 92631623) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is (4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID92631623
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name(4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCc1nn(C)c2nc(C3CCN(C(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)CC3)ccc12
InChIInChI=1S/C24H26FN5O2/c1-15-18-7-8-20(26-23(18)28(2)27-15)16-9-11-29(12-10-16)24(32)17-13-22(31)30(14-17)21-6-4-3-5-19(21)25/h3-8,16-17H,9-14H2,1-2H3/t17-/m0/s1
InChIKeyOFFDLIZSVYLFSH-KRWDZBQOSA-N
XLogP3.17
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one (CID 92631623) is (4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one is Cc1nn(C)c2nc(C3CCN(C(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)CC3)ccc12.
What is the InChIKey of (4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is OFFDLIZSVYLFSH-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-15-18-7-8-20(26-23(18)28(2)27-15)16-9-11-29(12-10-16)24(32)17-13-22(31)30(14-17)21-6-4-3-5-19(21)25/h3-8,16-17H,9-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one?
(4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 435.50 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 92631623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).