CID 58152938

C20H17N9O2 — CID 58152938

IUPAC—
SMILES[CH]CNc1nc(Nc2ccc3c(c2)CC(=O)N3)nc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C20H17N9O2/c1-2-21-17-27-18(22-11-3-5-13-10(7-11)8-16(30)24-13)29-19(28-17)23-12-4-6-14-15(9-12)26-20(31)25-14/h1,3-7,9H,2,8H2,(H,24,30)(H2,25,26,31)(H3,21,22,23,27,28,29)
InChIKeyZXFAFTMXXWTEIM-UHFFFAOYSA-N
MW415.42 g/mol
LogP2.15
Rot. Bonds6

About CID 58152938

CID 58152938 (PubChem CID 58152938) has the molecular formula C20H17N9O2 and a molecular weight of 415.42 g/mol.

Molecular Properties

Compound NameCID 58152938
PubChem CID58152938
Molecular FormulaC20H17N9O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name—
SMILES[CH]CNc1nc(Nc2ccc3c(c2)CC(=O)N3)nc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C20H17N9O2/c1-2-21-17-27-18(22-11-3-5-13-10(7-11)8-16(30)24-13)29-19(28-17)23-12-4-6-14-15(9-12)26-20(31)25-14/h1,3-7,9H,2,8H2,(H,24,30)(H2,25,26,31)(H3,21,22,23,27,28,29)
InChIKeyZXFAFTMXXWTEIM-UHFFFAOYSA-N
XLogP2.15
TPSA152.51 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 52.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[4-(Benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 58039456
4-Amino-3-[[4-pyrrolidin-1-yl-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide
CID 20800504
6-[[4-Ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 58040221
2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)butanamide
CID 58113187
2-[[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)butanamide
CID 58113231
2-[[4-[[4,6-bis[3-(dibutylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)butanamide
CID 58113284
5-[[4-[2-(2-Aminoethylamino)ethylamino]-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 58325567
5-[[4-(4-Methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 58325578
2-[[4-[[4-[3-(dimethylamino)propylamino]-6-[3-(methylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)butanamide
CID 58519989
2-[[4-[[4-[2-(dimethylamino)ethylamino]-6-[2-(methylamino)ethylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)butanamide
CID 58519991
7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70393865
6-[[4,6-Bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 159709151

Frequently Asked Questions

What is the IUPAC name of CID 58152938?
The IUPAC name of CID 58152938 (CID 58152938) is not available.
What is the SMILES notation for CID 58152938?
The canonical SMILES for CID 58152938 is [CH]CNc1nc(Nc2ccc3c(c2)CC(=O)N3)nc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1.
What is the InChIKey of CID 58152938?
The InChIKey is ZXFAFTMXXWTEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N9O2/c1-2-21-17-27-18(22-11-3-5-13-10(7-11)8-16(30)24-13)29-19(28-17)23-12-4-6-14-15(9-12)26-20(31)25-14/h1,3-7,9H,2,8H2,(H,24,30)(H2,25,26,31)(H3,21,22,23,27,28,29).
What are the key properties of CID 58152938?
CID 58152938 has a molecular weight of 415.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58152938 is sourced from PubChem (CID 58152938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).