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

C19H19F2N7O — CID 158451188

IUPAC2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCC(F)F)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C19H19F2N7O/c1-19(2,18(29)23-8-15(20)21)28-9-12-16(27-28)11-4-3-10(13-5-6-24-26-13)7-14(11)25-17(12)22/h3-7,9,15H,8H2,1-2H3,(H2,22,25)(H,23,29)(H,24,26)
InChIKeyHDZUAEIXVREKIO-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.67
Rot. Bonds5

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

2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide (PubChem CID 158451188) has the molecular formula C19H19F2N7O and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide
PubChem CID158451188
Molecular FormulaC19H19F2N7O
Molecular Weight399.41 g/mol
Exact Mass399.16
IUPAC Name2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCC(F)F)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C19H19F2N7O/c1-19(2,18(29)23-8-15(20)21)28-9-12-16(27-28)11-4-3-10(13-5-6-24-26-13)7-14(11)25-17(12)22/h3-7,9,15H,8H2,1-2H3,(H2,22,25)(H,23,29)(H,24,26)
InChIKeyHDZUAEIXVREKIO-UHFFFAOYSA-N
XLogP2.67
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide?
The IUPAC name of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide (CID 158451188) is 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide.
What is the SMILES notation for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide?
The canonical SMILES for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide is CC(C)(C(=O)NCC(F)F)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide?
The InChIKey is HDZUAEIXVREKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O/c1-19(2,18(29)23-8-15(20)21)28-9-12-16(27-28)11-4-3-10(13-5-6-24-26-13)7-14(11)25-17(12)22/h3-7,9,15H,8H2,1-2H3,(H2,22,25)(H,23,29)(H,24,26).
What are the key properties of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide?
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide has a molecular weight of 399.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)-2-methylpropanamide is sourced from PubChem (CID 158451188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).