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

C18H16F3N7O — CID 175625447

IUPACN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)CC(F)(F)F)nc12
InChIInChI=1S/C18H16F3N7O/c19-18(20,21)8-15(29)23-5-6-28-9-12-11-2-1-10(13-3-4-24-26-13)7-14(11)25-17(22)16(12)27-28/h1-4,7,9H,5-6,8H2,(H2,22,25)(H,23,29)(H,24,26)
InChIKeyFJGOAANERAMDOJ-UHFFFAOYSA-N
MW403.37 g/mol
LogP2.63
Rot. Bonds5

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

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide (PubChem CID 175625447) has the molecular formula C18H16F3N7O and a molecular weight of 403.37 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide
PubChem CID175625447
Molecular FormulaC18H16F3N7O
Molecular Weight403.37 g/mol
Exact Mass403.14
IUPAC NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)CC(F)(F)F)nc12
InChIInChI=1S/C18H16F3N7O/c19-18(20,21)8-15(29)23-5-6-28-9-12-11-2-1-10(13-3-4-24-26-13)7-14(11)25-17(22)16(12)27-28/h1-4,7,9H,5-6,8H2,(H2,22,25)(H,23,29)(H,24,26)
InChIKeyFJGOAANERAMDOJ-UHFFFAOYSA-N
XLogP2.63
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide
CID 157134726
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide
CID 160576900
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide
CID 159427333
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide
CID 157058511
4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one
CID 159117214
7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
CID 155679567
2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride
CID 159176829
7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine
CID 158554210
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide
CID 161195693
2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
CID 155679561
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethanol
CID 155679543
2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one
CID 151901864

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide (CID 175625447) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide is Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)CC(F)(F)F)nc12.
What is the InChIKey of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide?
The InChIKey is FJGOAANERAMDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7O/c19-18(20,21)8-15(29)23-5-6-28-9-12-11-2-1-10(13-3-4-24-26-13)7-14(11)25-17(22)16(12)27-28/h1-4,7,9H,5-6,8H2,(H2,22,25)(H,23,29)(H,24,26).
What are the key properties of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide?
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide has a molecular weight of 403.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 175625447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).