CID 59482500

C23H41N7O4 — CID 59482500

IUPAC—
SMILESCC1(C)CC(Nc2nc(NCCO)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C23H41N7O4/c1-20(2)11-15(12-21(3,4)29(20)32)25-18-26-17(24-9-10-31)27-19(28-18)34-16-13-22(5,6)30(33)23(7,8)14-16/h15-16,31H,9-14H2,1-8H3,(H2,24,25,26,27,28)
InChIKeyRVVPYUNQZKZXKW-UHFFFAOYSA-N
MW479.63 g/mol
LogP2.80
Rot. Bonds7

About CID 59482500

CID 59482500 (PubChem CID 59482500) has the molecular formula C23H41N7O4 and a molecular weight of 479.63 g/mol.

Molecular Properties

Compound NameCID 59482500
PubChem CID59482500
Molecular FormulaC23H41N7O4
Molecular Weight479.63 g/mol
Exact Mass479.32
IUPAC Name—
SMILESCC1(C)CC(Nc2nc(NCCO)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C23H41N7O4/c1-20(2)11-15(12-21(3,4)29(20)32)25-18-26-17(24-9-10-31)27-19(28-18)34-16-13-22(5,6)30(33)23(7,8)14-16/h15-16,31H,9-14H2,1-8H3,(H2,24,25,26,27,28)
InChIKeyRVVPYUNQZKZXKW-UHFFFAOYSA-N
XLogP2.80
TPSA138.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

CID 59482459
CID 59482459
CID 59482472
CID 59482472
2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine
CID 91807159
2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-6-[(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)oxy]-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 91369181
CID 59482340
CID 59482340
CID 59482524
CID 59482524
2-[[4-methoxy-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58972439
N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine
CID 91304177
CID 59482393
CID 59482393
CID 59482503
CID 59482503
CID 59482380
CID 59482380
CID 59482546
CID 59482546

Frequently Asked Questions

What is the IUPAC name of CID 59482500?
The IUPAC name of CID 59482500 (CID 59482500) is not available.
What is the SMILES notation for CID 59482500?
The canonical SMILES for CID 59482500 is CC1(C)CC(Nc2nc(NCCO)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O].
What is the InChIKey of CID 59482500?
The InChIKey is RVVPYUNQZKZXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N7O4/c1-20(2)11-15(12-21(3,4)29(20)32)25-18-26-17(24-9-10-31)27-19(28-18)34-16-13-22(5,6)30(33)23(7,8)14-16/h15-16,31H,9-14H2,1-8H3,(H2,24,25,26,27,28).
What are the key properties of CID 59482500?
CID 59482500 has a molecular weight of 479.63 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482500 is sourced from PubChem (CID 59482500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).