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

C16H11F2N5 — CID 134191669

IUPAC1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESFC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C16H11F2N5/c17-15(18)13-11-4-3-10(8-9(11)5-7-20-13)21-16-14-12(22-23-16)2-1-6-19-14/h1-8,15H,(H2,21,22,23)
InChIKeyRFPRBWBZNYJMKQ-UHFFFAOYSA-N
MW311.30 g/mol
LogP4.19
Rot. Bonds3

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

1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191669) has the molecular formula C16H11F2N5 and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191669
Molecular FormulaC16H11F2N5
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESFC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C16H11F2N5/c17-15(18)13-11-4-3-10(8-9(11)5-7-20-13)21-16-14-12(22-23-16)2-1-6-19-14/h1-8,15H,(H2,21,22,23)
InChIKeyRFPRBWBZNYJMKQ-UHFFFAOYSA-N
XLogP4.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191669) is 1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is RFPRBWBZNYJMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5/c17-15(18)13-11-4-3-10(8-9(11)5-7-20-13)21-16-14-12(22-23-16)2-1-6-19-14/h1-8,15H,(H2,21,22,23).
What are the key properties of 1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 311.30 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).