2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

C23H23N7O — CID 126936839

IUPAC2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1nc(NC2CCC(n3nc(-c4ccncc4)ccc3=O)CC2)c2ccncc2n1
InChIInChI=1S/C23H23N7O/c1-15-26-21-14-25-13-10-19(21)23(27-15)28-17-2-4-18(5-3-17)30-22(31)7-6-20(29-30)16-8-11-24-12-9-16/h6-14,17-18H,2-5H2,1H3,(H,26,27,28)
InChIKeyRHRBBFFHLUPGHA-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.55
Rot. Bonds4

About 2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126936839) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126936839
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1nc(NC2CCC(n3nc(-c4ccncc4)ccc3=O)CC2)c2ccncc2n1
InChIInChI=1S/C23H23N7O/c1-15-26-21-14-25-13-10-19(21)23(27-15)28-17-2-4-18(5-3-17)30-22(31)7-6-20(29-30)16-8-11-24-12-9-16/h6-14,17-18H,2-5H2,1H3,(H,26,27,28)
InChIKeyRHRBBFFHLUPGHA-UHFFFAOYSA-N
XLogP3.55
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

6-pyridin-3-yl-2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936514
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936768
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936752
6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936683
2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936711
3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one
CID 126934890
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936318
6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936787
2-[4-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936834

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (CID 126936839) is 2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is Cc1nc(NC2CCC(n3nc(-c4ccncc4)ccc3=O)CC2)c2ccncc2n1.
What is the InChIKey of 2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is RHRBBFFHLUPGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-15-26-21-14-25-13-10-19(21)23(27-15)28-17-2-4-18(5-3-17)30-22(31)7-6-20(29-30)16-8-11-24-12-9-16/h6-14,17-18H,2-5H2,1H3,(H,26,27,28).
What are the key properties of 2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 413.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126936839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).