[(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone

C20H17FN6O — CID 134294218

IUPAC[(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone
SMILESO=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CC[C@H](F)C1
InChIInChI=1S/C20H17FN6O/c21-13-6-9-27(11-13)20(28)17-15-4-3-14(10-12(15)5-8-23-17)24-19-18-16(25-26-19)2-1-7-22-18/h1-5,7-8,10,13H,6,9,11H2,(H2,24,25,26)/t13-/m0/s1
InChIKeyCHPZPKAZIZSQGR-ZDUSSCGKSA-N
MW376.40 g/mol
LogP3.43
Rot. Bonds3

About [(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone

[(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone (PubChem CID 134294218) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is [(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone
PubChem CID134294218
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name[(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone
SMILESO=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CC[C@H](F)C1
InChIInChI=1S/C20H17FN6O/c21-13-6-9-27(11-13)20(28)17-15-4-3-14(10-12(15)5-8-23-17)24-19-18-16(25-26-19)2-1-7-22-18/h1-5,7-8,10,13H,6,9,11H2,(H2,24,25,26)/t13-/m0/s1
InChIKeyCHPZPKAZIZSQGR-ZDUSSCGKSA-N
XLogP3.43
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone?
The IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone (CID 134294218) is [(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone.
What is the SMILES notation for [(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone?
The canonical SMILES for [(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone is O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CC[C@H](F)C1.
What is the InChIKey of [(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone?
The InChIKey is CHPZPKAZIZSQGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17FN6O/c21-13-6-9-27(11-13)20(28)17-15-4-3-14(10-12(15)5-8-23-17)24-19-18-16(25-26-19)2-1-7-22-18/h1-5,7-8,10,13H,6,9,11H2,(H2,24,25,26)/t13-/m0/s1.
What are the key properties of [(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone?
[(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone has a molecular weight of 376.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone is sourced from PubChem (CID 134294218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).