1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide

C22H28N6O — CID 138586873

IUPAC1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
SMILESCCCCN1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1
InChIInChI=1S/C22H28N6O/c1-3-4-9-28-10-7-16(8-11-28)22(29)24-21-13-18-12-17(5-6-20(18)25-26-21)19-14-23-27(2)15-19/h5-6,12-16H,3-4,7-11H2,1-2H3,(H,24,26,29)
InChIKeyFWIDRKXKABKBKW-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.48
Rot. Bonds6

About 1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide

1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide (PubChem CID 138586873) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
PubChem CID138586873
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
SMILESCCCCN1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1
InChIInChI=1S/C22H28N6O/c1-3-4-9-28-10-7-16(8-11-28)22(29)24-21-13-18-12-17(5-6-20(18)25-26-21)19-14-23-27(2)15-19/h5-6,12-16H,3-4,7-11H2,1-2H3,(H,24,26,29)
InChIKeyFWIDRKXKABKBKW-UHFFFAOYSA-N
XLogP3.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide (CID 138586873) is 1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide is CCCCN1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1.
What is the InChIKey of 1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide?
The InChIKey is FWIDRKXKABKBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-3-4-9-28-10-7-16(8-11-28)22(29)24-21-13-18-12-17(5-6-20(18)25-26-21)19-14-23-27(2)15-19/h5-6,12-16H,3-4,7-11H2,1-2H3,(H,24,26,29).
What are the key properties of 1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide?
1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138586873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).