N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide

C23H23N7O — CID 138587835

IUPACN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)c4ccnc(CN5CCCC5)c4)cc3c2)cn1
InChIInChI=1S/C23H23N7O/c1-29-14-19(13-25-29)16-4-5-21-18(10-16)12-22(28-27-21)26-23(31)17-6-7-24-20(11-17)15-30-8-2-3-9-30/h4-7,10-14H,2-3,8-9,15H2,1H3,(H,26,28,31)
InChIKeyQGEOCMCVIFVTOW-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.27
Rot. Bonds5

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

N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide (PubChem CID 138587835) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
PubChem CID138587835
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)c4ccnc(CN5CCCC5)c4)cc3c2)cn1
InChIInChI=1S/C23H23N7O/c1-29-14-19(13-25-29)16-4-5-21-18(10-16)12-22(28-27-21)26-23(31)17-6-7-24-20(11-17)15-30-8-2-3-9-30/h4-7,10-14H,2-3,8-9,15H2,1H3,(H,26,28,31)
InChIKeyQGEOCMCVIFVTOW-UHFFFAOYSA-N
XLogP3.27
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588588
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588309
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide
CID 138588149
2-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590246
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide
CID 138589377
2-methyl-6-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138590175
2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138588375
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
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 138587776
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide (CID 138587835) is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide is Cn1cc(-c2ccc3nnc(NC(=O)c4ccnc(CN5CCCC5)c4)cc3c2)cn1.
What is the InChIKey of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide?
The InChIKey is QGEOCMCVIFVTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-29-14-19(13-25-29)16-4-5-21-18(10-16)12-22(28-27-21)26-23(31)17-6-7-24-20(11-17)15-30-8-2-3-9-30/h4-7,10-14H,2-3,8-9,15H2,1H3,(H,26,28,31).
What are the key properties of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide?
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.27, 5 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]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 138587835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).