2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one

C26H27N7O — CID 71223951

IUPAC2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one
SMILESCC(C)n1nc(-c2ccccn2)c2nc(Nc3ccc4c(c3)CN(C)CC43CC3)ncc2c1=O
InChIInChI=1S/C26H27N7O/c1-16(2)33-24(34)19-13-28-25(30-22(19)23(31-33)21-6-4-5-11-27-21)29-18-7-8-20-17(12-18)14-32(3)15-26(20)9-10-26/h4-8,11-13,16H,9-10,14-15H2,1-3H3,(H,28,29,30)
InChIKeyFAOLXAZMZPORTR-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.05
Rot. Bonds4

About 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one

2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one (PubChem CID 71223951) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one.

Molecular Properties

Compound Name2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one
PubChem CID71223951
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one
SMILESCC(C)n1nc(-c2ccccn2)c2nc(Nc3ccc4c(c3)CN(C)CC43CC3)ncc2c1=O
InChIInChI=1S/C26H27N7O/c1-16(2)33-24(34)19-13-28-25(30-22(19)23(31-33)21-6-4-5-11-27-21)29-18-7-8-20-17(12-18)14-32(3)15-26(20)9-10-26/h4-8,11-13,16H,9-10,14-15H2,1-3H3,(H,28,29,30)
InChIKeyFAOLXAZMZPORTR-UHFFFAOYSA-N
XLogP4.05
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one with MolForge

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Related Compounds

8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one
CID 71224533
6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one
CID 71223923
6-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-[6-(2-oxo-1-pyridinyl)-2-pyridinyl]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 42602863
2-ethyl-6-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-3-one
CID 166899210
2-cyclopropyl-6-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-3-one
CID 166899216
4-amino-3-(2,6-dichlorophenyl)-7-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrimido[4,5-d]pyrimidin-2-one;hydrate
CID 44595896
bis(4-amino-3-(2,6-dichlorophenyl)-7-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrimido[4,5-d]pyrimidin-2-one);heptahydrate;tetrahydrochloride
CID 44595897
ethyl 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-4-(pyridine-3-carbonyl)pyrimidine-5-carboxylate
CID 71224472
(12Z)-18-hydroxy-5-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-2,4,6,10,17-pentazapentacyclo[15.5.2.02,10.03,8.020,24]tetracosa-1(23),3,5,7,12,20(24),21-heptaen-9-one
CID 166970409
2-ethyl-6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 142557305
(12E)-5-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-18-oxa-2,4,6,10,16-pentazapentacyclo[14.5.2.02,10.03,8.019,23]tricosa-1(22),3,5,7,12,19(23),20-heptaene-9,17-dione
CID 155362722
N-[(1E,3Z)-2-[6-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-1-yl]penta-1,3-dienyl]-N-propan-2-ylformamide
CID 170253383

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one?
The IUPAC name of 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one (CID 71223951) is 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one.
What is the SMILES notation for 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one?
The canonical SMILES for 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one is CC(C)n1nc(-c2ccccn2)c2nc(Nc3ccc4c(c3)CN(C)CC43CC3)ncc2c1=O.
What is the InChIKey of 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one?
The InChIKey is FAOLXAZMZPORTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-16(2)33-24(34)19-13-28-25(30-22(19)23(31-33)21-6-4-5-11-27-21)29-18-7-8-20-17(12-18)14-32(3)15-26(20)9-10-26/h4-8,11-13,16H,9-10,14-15H2,1-3H3,(H,28,29,30).
What are the key properties of 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one?
2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one has a molecular weight of 453.55 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one is sourced from PubChem (CID 71223951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).