6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C23H26N6O — CID 126926308

IUPAC6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCCN1c1ncnc2c1CCCCC2
InChIInChI=1S/C23H26N6O/c30-22-9-8-20(17-10-12-24-13-11-17)27-29(22)15-18-5-4-14-28(18)23-19-6-2-1-3-7-21(19)25-16-26-23/h8-13,16,18H,1-7,14-15H2
InChIKeyNNYTUBDDACHIRJ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.03
Rot. Bonds4

About 6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126926308) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126926308
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCCN1c1ncnc2c1CCCCC2
InChIInChI=1S/C23H26N6O/c30-22-9-8-20(17-10-12-24-13-11-17)27-29(22)15-18-5-4-14-28(18)23-19-6-2-1-3-7-21(19)25-16-26-23/h8-13,16,18H,1-7,14-15H2
InChIKeyNNYTUBDDACHIRJ-UHFFFAOYSA-N
XLogP3.03
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926318
2-[[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926357
6-pyridin-4-yl-2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926091
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924991
6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926087
6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 126926090
2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926154
6-pyridin-3-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929525
6-pyridin-3-yl-2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929526
6-pyridin-3-yl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126925767
6-pyridin-4-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926251
6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926229

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126926308) is 6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CC1CCCN1c1ncnc2c1CCCCC2.
What is the InChIKey of 6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is NNYTUBDDACHIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c30-22-9-8-20(17-10-12-24-13-11-17)27-29(22)15-18-5-4-14-28(18)23-19-6-2-1-3-7-21(19)25-16-26-23/h8-13,16,18H,1-7,14-15H2.
What are the key properties of 6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 402.50 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).