2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one

C71H62N10O4 — CID 158779574

IUPAC2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one
SMILESCc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCC(O)C3)ccc1C2=O.Cc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCCC3)ccc1C2=O.Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CCCc3ccccn3)ccc1C2=O
InChIInChI=1S/C25H20N4O.C23H21N3O2.C23H21N3O/c26-25-28-22(17-8-2-1-3-9-17)21-23(29-25)20-15-16(12-13-19(20)24(21)30)7-6-11-18-10-4-5-14-27-18;1-14-24-21(16-5-3-2-4-6-16)20-22(25-14)19-11-15(7-8-18(19)23(20)28)12-26-10-9-17(27)13-26;1-15-24-21(17-7-3-2-4-8-17)20-22(25-15)19-13-16(9-10-18(19)23(20)27)14-26-11-5-6-12-26/h1-5,8-10,12-15H,6-7,11H2,(H2,26,28,29);2-8,11,17,27H,9-10,12-13H2,1H3;2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKeyIQXACKUYIWPVEK-UHFFFAOYSA-N
MW1119.34 g/mol
LogP12.00
Rot. Bonds11

About 2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one

2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 158779574) has the molecular formula C71H62N10O4 and a molecular weight of 1119.34 g/mol. Its IUPAC name is 2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID158779574
Molecular FormulaC71H62N10O4
Molecular Weight1119.34 g/mol
Exact Mass1118.50
IUPAC Name2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one
SMILESCc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCC(O)C3)ccc1C2=O.Cc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCCC3)ccc1C2=O.Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CCCc3ccccn3)ccc1C2=O
InChIInChI=1S/C25H20N4O.C23H21N3O2.C23H21N3O/c26-25-28-22(17-8-2-1-3-9-17)21-23(29-25)20-15-16(12-13-19(20)24(21)30)7-6-11-18-10-4-5-14-27-18;1-14-24-21(16-5-3-2-4-6-16)20-22(25-14)19-11-15(7-8-18(19)23(20)28)12-26-10-9-17(27)13-26;1-15-24-21(17-7-3-2-4-8-17)20-22(25-15)19-13-16(9-10-18(19)23(20)27)14-26-11-5-6-12-26/h1-5,8-10,12-15H,6-7,11H2,(H2,26,28,29);2-8,11,17,27H,9-10,12-13H2,1H3;2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKeyIQXACKUYIWPVEK-UHFFFAOYSA-N
XLogP12.00
TPSA194.17 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.34
LogP ≤ 512.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one with MolForge

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Related Compounds

2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 54760221
2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
CID 46889205
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 46889252
(3R)-1-benzylazepan-3-ol
CID 124585423
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one
CID 171563522
5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 45236703
3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one
CID 170512727
1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
(3R)-1-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 131002661

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one (CID 158779574) is 2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one is Cc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCC(O)C3)ccc1C2=O.Cc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCCC3)ccc1C2=O.Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CCCc3ccccn3)ccc1C2=O.
What is the InChIKey of 2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is IQXACKUYIWPVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O.C23H21N3O2.C23H21N3O/c26-25-28-22(17-8-2-1-3-9-17)21-23(29-25)20-15-16(12-13-19(20)24(21)30)7-6-11-18-10-4-5-14-27-18;1-14-24-21(16-5-3-2-4-6-16)20-22(25-14)19-11-15(7-8-18(19)23(20)28)12-26-10-9-17(27)13-26;1-15-24-21(17-7-3-2-4-8-17)20-22(25-15)19-13-16(9-10-18(19)23(20)27)14-26-11-5-6-12-26/h1-5,8-10,12-15H,6-7,11H2,(H2,26,28,29);2-8,11,17,27H,9-10,12-13H2,1H3;2-4,7-10,13H,5-6,11-12,14H2,1H3.
What are the key properties of 2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 1119.34 g/mol, XLogP of 12.00, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 158779574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).