1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

C19H16F2N6 — CID 134191677

IUPAC1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESFC1(F)CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1
InChIInChI=1S/C19H16F2N6/c20-19(21)6-9-27(11-19)18-14-4-3-13(10-12(14)5-8-23-18)24-17-16-15(25-26-17)2-1-7-22-16/h1-5,7-8,10H,6,9,11H2,(H2,24,25,26)
InChIKeyFIDMRJAYXPNROT-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.10
Rot. Bonds3

About 1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191677) has the molecular formula C19H16F2N6 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191677
Molecular FormulaC19H16F2N6
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESFC1(F)CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1
InChIInChI=1S/C19H16F2N6/c20-19(21)6-9-27(11-19)18-14-4-3-13(10-12(14)5-8-23-18)24-17-16-15(25-26-17)2-1-7-22-16/h1-5,7-8,10H,6,9,11H2,(H2,24,25,26)
InChIKeyFIDMRJAYXPNROT-UHFFFAOYSA-N
XLogP4.10
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191677) is 1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is FC1(F)CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is FIDMRJAYXPNROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6/c20-19(21)6-9-27(11-19)18-14-4-3-13(10-12(14)5-8-23-18)24-17-16-15(25-26-17)2-1-7-22-16/h1-5,7-8,10H,6,9,11H2,(H2,24,25,26).
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 366.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).