methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate

C23H20N8O3 — CID 175624198

IUPACmethyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4ccn[nH]4)ccc23)n1
InChIInChI=1S/C23H20N8O3/c1-34-23(33)18-4-2-3-17(27-18)22(32)25-9-10-31-12-15-14-6-5-13(16-7-8-26-29-16)11-19(14)28-21(24)20(15)30-31/h2-8,11-12H,9-10H2,1H3,(H2,24,28)(H,25,32)(H,26,29)
InChIKeySGVYVZWDZILNTR-UHFFFAOYSA-N
MW456.47 g/mol
LogP2.17
Rot. Bonds6

About methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate

methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate (PubChem CID 175624198) has the molecular formula C23H20N8O3 and a molecular weight of 456.47 g/mol. Its IUPAC name is methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate
PubChem CID175624198
Molecular FormulaC23H20N8O3
Molecular Weight456.47 g/mol
Exact Mass456.17
IUPAC Namemethyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4ccn[nH]4)ccc23)n1
InChIInChI=1S/C23H20N8O3/c1-34-23(33)18-4-2-3-17(27-18)22(32)25-9-10-31-12-15-14-6-5-13(16-7-8-26-29-16)11-19(14)28-21(24)20(15)30-31/h2-8,11-12H,9-10H2,1H3,(H2,24,28)(H,25,32)(H,26,29)
InChIKeySGVYVZWDZILNTR-UHFFFAOYSA-N
XLogP2.17
TPSA153.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate (CID 175624198) is methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4ccn[nH]4)ccc23)n1.
What is the InChIKey of methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is SGVYVZWDZILNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O3/c1-34-23(33)18-4-2-3-17(27-18)22(32)25-9-10-31-12-15-14-6-5-13(16-7-8-26-29-16)11-19(14)28-21(24)20(15)30-31/h2-8,11-12H,9-10H2,1H3,(H2,24,28)(H,25,32)(H,26,29).
What are the key properties of methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate?
methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 456.47 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 175624198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).