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

C22H18FN7O — CID 157134726

IUPACN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C22H18FN7O/c23-15-4-1-13(2-5-15)22(31)25-9-10-30-12-17-16-6-3-14(18-7-8-26-28-18)11-19(16)27-21(24)20(17)29-30/h1-8,11-12H,9-10H2,(H2,24,27)(H,25,31)(H,26,28)
InChIKeyAJMKVXJQZGWZGY-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.13
Rot. Bonds5

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

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide (PubChem CID 157134726) has the molecular formula C22H18FN7O and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide
PubChem CID157134726
Molecular FormulaC22H18FN7O
Molecular Weight415.43 g/mol
Exact Mass415.16
IUPAC NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C22H18FN7O/c23-15-4-1-13(2-5-15)22(31)25-9-10-30-12-17-16-6-3-14(18-7-8-26-28-18)11-19(16)27-21(24)20(17)29-30/h1-8,11-12H,9-10H2,(H2,24,27)(H,25,31)(H,26,28)
InChIKeyAJMKVXJQZGWZGY-UHFFFAOYSA-N
XLogP3.13
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.13
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]-1-methylimidazole-4-carboxamide
CID 160576900
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide
CID 175625447
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide
CID 159427333
4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one
CID 159117214
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
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide
CID 157058511
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
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
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide
CID 149442222

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]-4-fluorobenzamide?
The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide (CID 157134726) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide is Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide?
The InChIKey is AJMKVXJQZGWZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O/c23-15-4-1-13(2-5-15)22(31)25-9-10-30-12-17-16-6-3-14(18-7-8-26-28-18)11-19(16)27-21(24)20(17)29-30/h1-8,11-12H,9-10H2,(H2,24,27)(H,25,31)(H,26,28).
What are the key properties of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide?
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide has a molecular weight of 415.43 g/mol, XLogP of 3.13, 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]-4-fluorobenzamide is sourced from PubChem (CID 157134726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).