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

C18H17F2N7O — CID 159223867

IUPAC3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)propanamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CCC(=O)NCC(F)F)cc12
InChIInChI=1S/C18H17F2N7O/c19-15(20)8-22-16(28)4-6-27-9-12-17(26-27)11-2-1-10(13-3-5-23-25-13)7-14(11)24-18(12)21/h1-3,5,7,9,15H,4,6,8H2,(H2,21,24)(H,22,28)(H,23,25)
InChIKeyKSAOBZUMUURUIP-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.33
Rot. Bonds6

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

3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)propanamide (PubChem CID 159223867) has the molecular formula C18H17F2N7O and a molecular weight of 385.38 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)propanamide.

Molecular Properties

Compound Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)propanamide
PubChem CID159223867
Molecular FormulaC18H17F2N7O
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)propanamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CCC(=O)NCC(F)F)cc12
InChIInChI=1S/C18H17F2N7O/c19-15(20)8-22-16(28)4-6-27-9-12-17(26-27)11-2-1-10(13-3-5-23-25-13)7-14(11)24-18(12)21/h1-3,5,7,9,15H,4,6,8H2,(H2,21,24)(H,22,28)(H,23,25)
InChIKeyKSAOBZUMUURUIP-UHFFFAOYSA-N
XLogP2.33
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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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)propanamide?
The IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)propanamide (CID 159223867) is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)propanamide.
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)propanamide?
The canonical SMILES for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)propanamide is Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CCC(=O)NCC(F)F)cc12.
What is the InChIKey of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)propanamide?
The InChIKey is KSAOBZUMUURUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O/c19-15(20)8-22-16(28)4-6-27-9-12-17(26-27)11-2-1-10(13-3-5-23-25-13)7-14(11)24-18(12)21/h1-3,5,7,9,15H,4,6,8H2,(H2,21,24)(H,22,28)(H,23,25).
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)propanamide?
3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(2,2-difluoroethyl)propanamide has a molecular weight of 385.38 g/mol, XLogP of 2.33, 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)propanamide is sourced from PubChem (CID 159223867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).