4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one

C35H30FN7O3 — CID 155569079

IUPAC4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
SMILESO=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCc2c(nc(-c3cccc4[nH]ccc34)nc2N2CCOCC2)C1
InChIInChI=1S/C35H30FN7O3/c36-28-9-8-21(19-30-22-4-1-2-5-25(22)34(44)41-40-30)18-27(28)35(45)43-13-11-26-31(20-43)38-32(39-33(26)42-14-16-46-17-15-42)24-6-3-7-29-23(24)10-12-37-29/h1-10,12,18,37H,11,13-17,19-20H2,(H,41,44)
InChIKeyXCULREABYDORQQ-UHFFFAOYSA-N
MW615.67 g/mol
LogP4.63
Rot. Bonds5

About 4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one

4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one (PubChem CID 155569079) has the molecular formula C35H30FN7O3 and a molecular weight of 615.67 g/mol. Its IUPAC name is 4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
PubChem CID155569079
Molecular FormulaC35H30FN7O3
Molecular Weight615.67 g/mol
Exact Mass615.24
IUPAC Name4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
SMILESO=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCc2c(nc(-c3cccc4[nH]ccc34)nc2N2CCOCC2)C1
InChIInChI=1S/C35H30FN7O3/c36-28-9-8-21(19-30-22-4-1-2-5-25(22)34(44)41-40-30)18-27(28)35(45)43-13-11-26-31(20-43)38-32(39-33(26)42-14-16-46-17-15-42)24-6-3-7-29-23(24)10-12-37-29/h1-10,12,18,37H,11,13-17,19-20H2,(H,41,44)
InChIKeyXCULREABYDORQQ-UHFFFAOYSA-N
XLogP4.63
TPSA120.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.67
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one with MolForge

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Related Compounds

4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide
CID 121249908
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086114
4-[[4-fluoro-3-[4-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 155528446
4-[[4-fluoro-3-[4-[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 155512651
4-[[4-fluoro-3-[4-[4-(1H-indol-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 155543234
4-[[4-fluoro-3-[4-[4-(1H-indazol-6-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 155543524
2-[1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperidin-4-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 164619328
1-(4-Fluorophenyl)-8-[(2-morpholin-4-ylisonicotinoyl)-amino]-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 10459074
4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-N-pyridin-4-yl-5H-pyrimido[5,4-b]indole-9-carboxamide
CID 11156535
4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)benzamide
CID 16086115
2,6-difluoro-N-[3-[3-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529350
N-(3-(3-(2-morpholinopyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880141

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one (CID 155569079) is 4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one is O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCc2c(nc(-c3cccc4[nH]ccc34)nc2N2CCOCC2)C1.
What is the InChIKey of 4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
The InChIKey is XCULREABYDORQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30FN7O3/c36-28-9-8-21(19-30-22-4-1-2-5-25(22)34(44)41-40-30)18-27(28)35(45)43-13-11-26-31(20-43)38-32(39-33(26)42-14-16-46-17-15-42)24-6-3-7-29-23(24)10-12-37-29/h1-10,12,18,37H,11,13-17,19-20H2,(H,41,44).
What are the key properties of 4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one has a molecular weight of 615.67 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-3-[2-(1H-indol-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 155569079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).