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

C24H25FN8O — CID 138588588

IUPAC2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)c4ccnc(N5CCN(CCF)CC5)c4)cc3c2)cn1
InChIInChI=1S/C24H25FN8O/c1-31-16-20(15-27-31)17-2-3-21-19(12-17)13-22(30-29-21)28-24(34)18-4-6-26-23(14-18)33-10-8-32(7-5-25)9-11-33/h2-4,6,12-16H,5,7-11H2,1H3,(H,28,30,34)
InChIKeySXHYUSHQVQOOIE-UHFFFAOYSA-N
MW460.52 g/mol
LogP2.77
Rot. Bonds6

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

2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide (PubChem CID 138588588) has the molecular formula C24H25FN8O and a molecular weight of 460.52 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
PubChem CID138588588
Molecular FormulaC24H25FN8O
Molecular Weight460.52 g/mol
Exact Mass460.21
IUPAC Name2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)c4ccnc(N5CCN(CCF)CC5)c4)cc3c2)cn1
InChIInChI=1S/C24H25FN8O/c1-31-16-20(15-27-31)17-2-3-21-19(12-17)13-22(30-29-21)28-24(34)18-4-6-26-23(14-18)33-10-8-32(7-5-25)9-11-33/h2-4,6,12-16H,5,7-11H2,1H3,(H,28,30,34)
InChIKeySXHYUSHQVQOOIE-UHFFFAOYSA-N
XLogP2.77
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
CID 138587835
2-methyl-6-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138590175
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide
CID 138588149
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138590328
2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588795
2-(4-aminopiperidin-1-yl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138587956
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide
CID 138589377
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589218
1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 161061645
2-[4,4-bis(trideuteriomethyl)piperazin-4-ium-1-yl]-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138589569

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide (CID 138588588) is 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide is Cn1cc(-c2ccc3nnc(NC(=O)c4ccnc(N5CCN(CCF)CC5)c4)cc3c2)cn1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide?
The InChIKey is SXHYUSHQVQOOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O/c1-31-16-20(15-27-31)17-2-3-21-19(12-17)13-22(30-29-21)28-24(34)18-4-6-26-23(14-18)33-10-8-32(7-5-25)9-11-33/h2-4,6,12-16H,5,7-11H2,1H3,(H,28,30,34).
What are the key properties of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide?
2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide has a molecular weight of 460.52 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138588588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).