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

C20H18F2N6 — CID 147234598

IUPAC1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESFC1(F)CCCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1
InChIInChI=1S/C20H18F2N6/c21-20(22)7-2-10-28(12-20)19-15-5-4-14(11-13(15)6-9-24-19)25-18-17-16(26-27-18)3-1-8-23-17/h1,3-6,8-9,11H,2,7,10,12H2,(H2,25,26,27)
InChIKeyCJOJZWCBHIYACL-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.49
Rot. Bonds3

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

1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 147234598) has the molecular formula C20H18F2N6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID147234598
Molecular FormulaC20H18F2N6
Molecular Weight380.40 g/mol
Exact Mass380.16
IUPAC Name1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESFC1(F)CCCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1
InChIInChI=1S/C20H18F2N6/c21-20(22)7-2-10-28(12-20)19-15-5-4-14(11-13(15)6-9-24-19)25-18-17-16(26-27-18)3-1-8-23-17/h1,3-6,8-9,11H,2,7,10,12H2,(H2,25,26,27)
InChIKeyCJOJZWCBHIYACL-UHFFFAOYSA-N
XLogP4.49
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 147234598) is 1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is FC1(F)CCCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.
What is the InChIKey of 1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is CJOJZWCBHIYACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6/c21-20(22)7-2-10-28(12-20)19-15-5-4-14(11-13(15)6-9-24-19)25-18-17-16(26-27-18)3-1-8-23-17/h1,3-6,8-9,11H,2,7,10,12H2,(H2,25,26,27).
What are the key properties of 1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 380.40 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropiperidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 147234598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).