N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H17F3N8O — CID 146977333

IUPACN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3cccc(C(F)(F)F)n3)nc12
InChIInChI=1S/C22H17F3N8O/c23-22(24,25)18-3-1-2-16(29-18)21(34)27-8-9-33-11-14-13-5-4-12(15-6-7-28-31-15)10-17(13)30-20(26)19(14)32-33/h1-7,10-11H,8-9H2,(H2,26,30)(H,27,34)(H,28,31)
InChIKeyANPWELDWNHUMGP-UHFFFAOYSA-N
MW466.43 g/mol
LogP3.40
Rot. Bonds5

About N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 146977333) has the molecular formula C22H17F3N8O and a molecular weight of 466.43 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID146977333
Molecular FormulaC22H17F3N8O
Molecular Weight466.43 g/mol
Exact Mass466.15
IUPAC NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3cccc(C(F)(F)F)n3)nc12
InChIInChI=1S/C22H17F3N8O/c23-22(24,25)18-3-1-2-16(29-18)21(34)27-8-9-33-11-14-13-5-4-12(15-6-7-28-31-15)10-17(13)30-20(26)19(14)32-33/h1-7,10-11H,8-9H2,(H2,26,30)(H,27,34)(H,28,31)
InChIKeyANPWELDWNHUMGP-UHFFFAOYSA-N
XLogP3.40
TPSA127.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 146977333) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide is Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3cccc(C(F)(F)F)n3)nc12.
What is the InChIKey of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ANPWELDWNHUMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N8O/c23-22(24,25)18-3-1-2-16(29-18)21(34)27-8-9-33-11-14-13-5-4-12(15-6-7-28-31-15)10-17(13)30-20(26)19(14)32-33/h1-7,10-11H,8-9H2,(H2,26,30)(H,27,34)(H,28,31).
What are the key properties of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 466.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146977333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).