CID 175613289

C24H26BN7O — CID 175613289

IUPAC—
SMILES[B]c1cnc(NC)c2ncc(N3CCN(Cc4cnc5cc(CC)c(=O)[nH]c5c4)CC3)cc12
InChIInChI=1S/C24H26BN7O/c1-3-16-9-20-21(30-24(16)33)8-15(11-27-20)14-31-4-6-32(7-5-31)17-10-18-19(25)13-29-23(26-2)22(18)28-12-17/h8-13H,3-7,14H2,1-2H3,(H,26,29)(H,30,33)
InChIKeyCFFSXNAGHLHUMO-UHFFFAOYSA-N
MW439.33 g/mol
LogP1.59
Rot. Bonds5

About CID 175613289

CID 175613289 (PubChem CID 175613289) has the molecular formula C24H26BN7O and a molecular weight of 439.33 g/mol.

Molecular Properties

Compound NameCID 175613289
PubChem CID175613289
Molecular FormulaC24H26BN7O
Molecular Weight439.33 g/mol
Exact Mass439.23
IUPAC Name—
SMILES[B]c1cnc(NC)c2ncc(N3CCN(Cc4cnc5cc(CC)c(=O)[nH]c5c4)CC3)cc12
InChIInChI=1S/C24H26BN7O/c1-3-16-9-20-21(30-24(16)33)8-15(11-27-20)14-31-4-6-32(7-5-31)17-10-18-19(25)13-29-23(26-2)22(18)28-12-17/h8-13H,3-7,14H2,1-2H3,(H,26,29)(H,30,33)
InChIKeyCFFSXNAGHLHUMO-UHFFFAOYSA-N
XLogP1.59
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 166082777
3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166082745
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
CID 178131848
N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide
CID 166088908
3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176581391
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
CID 177022352
3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
CID 171487996
2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 166021942
trans-(1R,2S)-N-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 172538757

Frequently Asked Questions

What is the IUPAC name of CID 175613289?
The IUPAC name of CID 175613289 (CID 175613289) is not available.
What is the SMILES notation for CID 175613289?
The canonical SMILES for CID 175613289 is [B]c1cnc(NC)c2ncc(N3CCN(Cc4cnc5cc(CC)c(=O)[nH]c5c4)CC3)cc12.
What is the InChIKey of CID 175613289?
The InChIKey is CFFSXNAGHLHUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BN7O/c1-3-16-9-20-21(30-24(16)33)8-15(11-27-20)14-31-4-6-32(7-5-31)17-10-18-19(25)13-29-23(26-2)22(18)28-12-17/h8-13H,3-7,14H2,1-2H3,(H,26,29)(H,30,33).
What are the key properties of CID 175613289?
CID 175613289 has a molecular weight of 439.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175613289 is sourced from PubChem (CID 175613289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).