[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone

C20H23N5O — CID 56871842

IUPAC[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCc4c(ncnc4N(C)C)C3)cc2c1C
InChIInChI=1S/C20H23N5O/c1-12-13(2)23-17-6-5-14(9-16(12)17)20(26)25-8-7-15-18(10-25)21-11-22-19(15)24(3)4/h5-6,9,11,23H,7-8,10H2,1-4H3
InChIKeyHVCRZIZUDOZIJT-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.84
Rot. Bonds2

About [4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone

[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone (PubChem CID 56871842) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
PubChem CID56871842
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCc4c(ncnc4N(C)C)C3)cc2c1C
InChIInChI=1S/C20H23N5O/c1-12-13(2)23-17-6-5-14(9-16(12)17)20(26)25-8-7-15-18(10-25)21-11-22-19(15)24(3)4/h5-6,9,11,23H,7-8,10H2,1-4H3
InChIKeyHVCRZIZUDOZIJT-UHFFFAOYSA-N
XLogP2.84
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3H-benzo[e]indol-2-yl-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56870481
3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4788431
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4868821
(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
CID 43581955
4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one
CID 64694144
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
(2,3-dimethyl-1H-indol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956763
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
2-(3,4-dimethylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081838
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
(2,3-dimethyl-1H-indol-5-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 55552636

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
The IUPAC name of [4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone (CID 56871842) is [4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
The canonical SMILES for [4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone is Cc1[nH]c2ccc(C(=O)N3CCc4c(ncnc4N(C)C)C3)cc2c1C.
What is the InChIKey of [4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
The InChIKey is HVCRZIZUDOZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12-13(2)23-17-6-5-14(9-16(12)17)20(26)25-8-7-15-18(10-25)21-11-22-19(15)24(3)4/h5-6,9,11,23H,7-8,10H2,1-4H3.
What are the key properties of [4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone is sourced from PubChem (CID 56871842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).