6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C30H38N6O3 — CID 23648155

IUPAC6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCN(CC)Cc1ccccc1N1CCC(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)CC1
InChIInChI=1S/C30H38N6O3/c1-4-33(5-2)20-21-8-6-7-9-26(21)34-17-14-22(15-18-34)35-19-16-25-27(29(31)37)32-36(28(25)30(35)38)23-10-12-24(39-3)13-11-23/h6-13,22H,4-5,14-20H2,1-3H3,(H2,31,37)
InChIKeyITHCVPPZUXPRGP-UHFFFAOYSA-N
MW530.67 g/mol
LogP3.49
Rot. Bonds9

About 6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 23648155) has the molecular formula C30H38N6O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is 6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID23648155
Molecular FormulaC30H38N6O3
Molecular Weight530.67 g/mol
Exact Mass530.30
IUPAC Name6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCN(CC)Cc1ccccc1N1CCC(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)CC1
InChIInChI=1S/C30H38N6O3/c1-4-33(5-2)20-21-8-6-7-9-26(21)34-17-14-22(15-18-34)35-19-16-25-27(29(31)37)32-36(28(25)30(35)38)23-10-12-24(39-3)13-11-23/h6-13,22H,4-5,14-20H2,1-3H3,(H2,31,37)
InChIKeyITHCVPPZUXPRGP-UHFFFAOYSA-N
XLogP3.49
TPSA96.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 23648155) is 6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CCN(CC)Cc1ccccc1N1CCC(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)CC1.
What is the InChIKey of 6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is ITHCVPPZUXPRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3/c1-4-33(5-2)20-21-8-6-7-9-26(21)34-17-14-22(15-18-34)35-19-16-25-27(29(31)37)32-36(28(25)30(35)38)23-10-12-24(39-3)13-11-23/h6-13,22H,4-5,14-20H2,1-3H3,(H2,31,37).
What are the key properties of 6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 530.67 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(diethylaminomethyl)phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 23648155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).