3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide

C19H19F2N7O — CID 158282736

IUPAC3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide
SMILESCC(CC(=O)NCC(F)F)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C19H19F2N7O/c1-10(6-17(29)23-8-16(20)21)28-9-13-18(27-28)12-3-2-11(14-4-5-24-26-14)7-15(12)25-19(13)22/h2-5,7,9-10,16H,6,8H2,1H3,(H2,22,25)(H,23,29)(H,24,26)
InChIKeyGKKGMMSPUFBUOS-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.89
Rot. Bonds6

About 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide

3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide (PubChem CID 158282736) has the molecular formula C19H19F2N7O and a molecular weight of 399.41 g/mol. Its IUPAC name is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide.

Molecular Properties

Compound Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide
PubChem CID158282736
Molecular FormulaC19H19F2N7O
Molecular Weight399.41 g/mol
Exact Mass399.16
IUPAC Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide
SMILESCC(CC(=O)NCC(F)F)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C19H19F2N7O/c1-10(6-17(29)23-8-16(20)21)28-9-13-18(27-28)12-3-2-11(14-4-5-24-26-14)7-15(12)25-19(13)22/h2-5,7,9-10,16H,6,8H2,1H3,(H2,22,25)(H,23,29)(H,24,26)
InChIKeyGKKGMMSPUFBUOS-UHFFFAOYSA-N
XLogP2.89
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide?
The IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide (CID 158282736) is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide.
What is the SMILES notation for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide?
The canonical SMILES for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide is CC(CC(=O)NCC(F)F)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide?
The InChIKey is GKKGMMSPUFBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O/c1-10(6-17(29)23-8-16(20)21)28-9-13-18(27-28)12-3-2-11(14-4-5-24-26-14)7-15(12)25-19(13)22/h2-5,7,9-10,16H,6,8H2,1H3,(H2,22,25)(H,23,29)(H,24,26).
What are the key properties of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide?
3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide has a molecular weight of 399.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)butanamide is sourced from PubChem (CID 158282736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).