7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one

C23H29N7O2 — CID 71103446

IUPAC7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one
SMILESCCN1C(=O)N(C)c2cnc(Nc3cccc4c3N(C(C)=O)CC4)nc2N1C1CCCC1
InChIInChI=1S/C23H29N7O2/c1-4-29-23(32)27(3)19-14-24-22(26-21(19)30(29)17-9-5-6-10-17)25-18-11-7-8-16-12-13-28(15(2)31)20(16)18/h7-8,11,14,17H,4-6,9-10,12-13H2,1-3H3,(H,24,25,26)
InChIKeyLHKBTGNIDXAENJ-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.68
Rot. Bonds4

About 7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one

7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one (PubChem CID 71103446) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one.

Molecular Properties

Compound Name7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one
PubChem CID71103446
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one
SMILESCCN1C(=O)N(C)c2cnc(Nc3cccc4c3N(C(C)=O)CC4)nc2N1C1CCCC1
InChIInChI=1S/C23H29N7O2/c1-4-29-23(32)27(3)19-14-24-22(26-21(19)30(29)17-9-5-6-10-17)25-18-11-7-8-16-12-13-28(15(2)31)20(16)18/h7-8,11,14,17H,4-6,9-10,12-13H2,1-3H3,(H,24,25,26)
InChIKeyLHKBTGNIDXAENJ-UHFFFAOYSA-N
XLogP3.68
TPSA84.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one with MolForge

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Related Compounds

1-cyclopentyl-2-ethyl-4-methyl-7-(4-morpholin-4-ylanilino)pyrimido[5,4-e][1,2,4]triazin-3-one
CID 69187487
3-[(1-cyclopentyl-2-ethyl-4-methyl-3-oxopyrimido[5,4-e][1,2,4]triazin-7-yl)amino]benzonitrile
CID 69164984
7-(5-chloro-2-methoxyanilino)-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one
CID 69186796
2-[(1-cyclopentyl-2-ethyl-4-methyl-3-oxopyrimido[5,4-e][1,2,4]triazin-7-yl)amino]-5-(1-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 25255746
1-cyclopentyl-2-ethyl-4-methyl-7-[4-(1,2,4-triazol-1-yl)anilino]pyrimido[5,4-e][1,2,4]triazin-3-one
CID 69210361
1-cyclopentyl-2-ethyl-4-methyl-7-[(2-methyl-1H-indol-5-yl)amino]pyrimido[5,4-e][1,2,4]triazin-3-one
CID 143652675
7-chloro-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one
CID 25241864
7-(3-chloro-4-morpholin-4-ylanilino)-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one
CID 69188280
4-[(1-cyclopentyl-2-ethyl-4-methyl-3-oxopyrimido[5,4-e][1,2,4]triazin-7-yl)amino]-N-[3-(dimethylamino)propyl]-5-methoxy-1-methylcyclohexa-2,4-diene-1-carboxamide
CID 163432783
4-[[(7R)-9-cyclopentyl-7-ethyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 42610722
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-ethylpiperidin-4-yl)-3-methoxybenzamide
CID 42610856
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-fluoro-N-(1-methylpiperidin-4-yl)benzamide
CID 58154170

Frequently Asked Questions

What is the IUPAC name of 7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one?
The IUPAC name of 7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one (CID 71103446) is 7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one.
What is the SMILES notation for 7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one?
The canonical SMILES for 7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one is CCN1C(=O)N(C)c2cnc(Nc3cccc4c3N(C(C)=O)CC4)nc2N1C1CCCC1.
What is the InChIKey of 7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one?
The InChIKey is LHKBTGNIDXAENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-4-29-23(32)27(3)19-14-24-22(26-21(19)30(29)17-9-5-6-10-17)25-18-11-7-8-16-12-13-28(15(2)31)20(16)18/h7-8,11,14,17H,4-6,9-10,12-13H2,1-3H3,(H,24,25,26).
What are the key properties of 7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one?
7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one has a molecular weight of 435.53 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one is sourced from PubChem (CID 71103446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).