N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide

C18H20N6O — CID 138591284

IUPACN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)CN4CCCC4)cc3c2)cn1
InChIInChI=1S/C18H20N6O/c1-23-11-15(10-19-23)13-4-5-16-14(8-13)9-17(22-21-16)20-18(25)12-24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,20,22,25)
InChIKeyCVZZACCARBGLRU-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.06
Rot. Bonds4

About N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide

N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 138591284) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID138591284
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)CN4CCCC4)cc3c2)cn1
InChIInChI=1S/C18H20N6O/c1-23-11-15(10-19-23)13-4-5-16-14(8-13)9-17(22-21-16)20-18(25)12-24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,20,22,25)
InChIKeyCVZZACCARBGLRU-UHFFFAOYSA-N
XLogP2.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138587111
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-pyrrolidin-1-ylpropan-2-one
CID 147925750
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
CID 138587835
1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586873
2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138591082
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
CID 138588985
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 138587776

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide (CID 138591284) is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide is Cn1cc(-c2ccc3nnc(NC(=O)CN4CCCC4)cc3c2)cn1.
What is the InChIKey of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is CVZZACCARBGLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23-11-15(10-19-23)13-4-5-16-14(8-13)9-17(22-21-16)20-18(25)12-24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,20,22,25).
What are the key properties of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide?
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 336.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 138591284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).