4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine

C19H19N9 — CID 163345177

IUPAC4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1nccn1-c1ccc(N2CCN(c3ncnc4ncccc34)CC2)nn1
InChIInChI=1S/C19H19N9/c1-14-20-7-8-28(14)17-5-4-16(24-25-17)26-9-11-27(12-10-26)19-15-3-2-6-21-18(15)22-13-23-19/h2-8,13H,9-12H2,1H3
InChIKeyNSAFKBULKCMUJW-UHFFFAOYSA-N
MW373.42 g/mol
LogP1.64
Rot. Bonds3

About 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine

4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine (PubChem CID 163345177) has the molecular formula C19H19N9 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
PubChem CID163345177
Molecular FormulaC19H19N9
Molecular Weight373.42 g/mol
Exact Mass373.18
IUPAC Name4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1nccn1-c1ccc(N2CCN(c3ncnc4ncccc34)CC2)nn1
InChIInChI=1S/C19H19N9/c1-14-20-7-8-28(14)17-5-4-16(24-25-17)26-9-11-27(12-10-26)19-15-3-2-6-21-18(15)22-13-23-19/h2-8,13H,9-12H2,1H3
InChIKeyNSAFKBULKCMUJW-UHFFFAOYSA-N
XLogP1.64
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 163345062
N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 163346447
4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 154882855
(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113928
3-(2-methylimidazol-1-yl)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539688
4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126893689
3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539689
3-methyl-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
CID 121113750
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 121113859
4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 163357358
2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 175650429

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine (CID 163345177) is 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine is Cc1nccn1-c1ccc(N2CCN(c3ncnc4ncccc34)CC2)nn1.
What is the InChIKey of 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is NSAFKBULKCMUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9/c1-14-20-7-8-28(14)17-5-4-16(24-25-17)26-9-11-27(12-10-26)19-15-3-2-6-21-18(15)22-13-23-19/h2-8,13H,9-12H2,1H3.
What are the key properties of 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 373.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 163345177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).