N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide

C23H30N6O2 — CID 138587776

IUPACN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
SMILESCC(C)OCCN1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1
InChIInChI=1S/C23H30N6O2/c1-16(2)31-11-10-29-8-6-17(7-9-29)23(30)25-22-13-19-12-18(4-5-21(19)26-27-22)20-14-24-28(3)15-20/h4-5,12-17H,6-11H2,1-3H3,(H,25,27,30)
InChIKeyZOJPGNUHYNOHEF-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.11
Rot. Bonds7

About N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide

N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide (PubChem CID 138587776) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
PubChem CID138587776
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
SMILESCC(C)OCCN1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1
InChIInChI=1S/C23H30N6O2/c1-16(2)31-11-10-29-8-6-17(7-9-29)23(30)25-22-13-19-12-18(4-5-21(19)26-27-22)20-14-24-28(3)15-20/h4-5,12-17H,6-11H2,1-3H3,(H,25,27,30)
InChIKeyZOJPGNUHYNOHEF-UHFFFAOYSA-N
XLogP3.11
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586873
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138588375
2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138589116
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
CID 138588985
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793
2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138587111
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
CID 138587835
2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138591082

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide (CID 138587776) is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide is CC(C)OCCN1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1.
What is the InChIKey of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
The InChIKey is ZOJPGNUHYNOHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-16(2)31-11-10-29-8-6-17(7-9-29)23(30)25-22-13-19-12-18(4-5-21(19)26-27-22)20-14-24-28(3)15-20/h4-5,12-17H,6-11H2,1-3H3,(H,25,27,30).
What are the key properties of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 138587776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).