6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide

C22H23N9O — CID 138590695

IUPAC6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3cc4nc(-c5cnn(C)c5)ccc4cn3)cnn2)CC1
InChIInChI=1S/C22H23N9O/c1-29-5-7-31(8-6-29)21-9-16(12-24-28-21)22(32)27-20-10-19-15(11-23-20)3-4-18(26-19)17-13-25-30(2)14-17/h3-4,9-14H,5-8H2,1-2H3,(H,23,27,32)
InChIKeyOKDWQTIURWUDBB-UHFFFAOYSA-N
MW429.49 g/mol
LogP1.82
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide

6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide (PubChem CID 138590695) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide
PubChem CID138590695
Molecular FormulaC22H23N9O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3cc4nc(-c5cnn(C)c5)ccc4cn3)cnn2)CC1
InChIInChI=1S/C22H23N9O/c1-29-5-7-31(8-6-29)21-9-16(12-24-28-21)22(32)27-20-10-19-15(11-23-20)3-4-18(26-19)17-13-25-30(2)14-17/h3-4,9-14H,5-8H2,1-2H3,(H,23,27,32)
InChIKeyOKDWQTIURWUDBB-UHFFFAOYSA-N
XLogP1.82
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide
CID 138590221
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
N-[2-[5-(dimethylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138591093
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-2-propan-2-yloxypyridine-4-carboxamide
CID 138591594
2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
CID 138590297
1-(1-ethylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138591491
3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide
CID 138590958
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 138589617
2-[2-(dimethylamino)ethoxy]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
CID 138591319
2-(4-hydroxypiperidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590290
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589048

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide (CID 138590695) is 6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3cc4nc(-c5cnn(C)c5)ccc4cn3)cnn2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide?
The InChIKey is OKDWQTIURWUDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O/c1-29-5-7-31(8-6-29)21-9-16(12-24-28-21)22(32)27-20-10-19-15(11-23-20)3-4-18(26-19)17-13-25-30(2)14-17/h3-4,9-14H,5-8H2,1-2H3,(H,23,27,32).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide?
6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 138590695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).