4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide

C24H28N8O2 — CID 143563210

IUPAC4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C2(C[C@@H]2C)c2nncn2-3)c(OC)c1
InChIInChI=1S/C24H28N8O2/c1-14-11-24(14)22-30-27-13-31(22)18-12-26-23(29-20(18)32(24)16-6-4-5-7-16)28-17-9-8-15(21(33)25-2)10-19(17)34-3/h8-10,12-14,16H,4-7,11H2,1-3H3,(H,25,33)(H,26,28,29)/t14-,24?/m0/s1
InChIKeyIJSOMAGELWSLHO-LNYMIDHXSA-N
MW460.54 g/mol
LogP3.17
Rot. Bonds5

About 4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide

4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide (PubChem CID 143563210) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide
PubChem CID143563210
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C2(C[C@@H]2C)c2nncn2-3)c(OC)c1
InChIInChI=1S/C24H28N8O2/c1-14-11-24(14)22-30-27-13-31(22)18-12-26-23(29-20(18)32(24)16-6-4-5-7-16)28-17-9-8-15(21(33)25-2)10-19(17)34-3/h8-10,12-14,16H,4-7,11H2,1-3H3,(H,25,33)(H,26,28,29)/t14-,24?/m0/s1
InChIKeyIJSOMAGELWSLHO-LNYMIDHXSA-N
XLogP3.17
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)amino]-3-methoxy-N-methylbenzamide
CID 66672556
4-[[(8R)-9-cyclopentyl-5,8-dimethyl-6-methylidene-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 89113170
4-[[(3S,7R)-2-cyclopentyl-9-methyl-8-oxo-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-13-yl]amino]-3-methoxy-N-methylbenzamide
CID 68992962
4-[(9-cyclopentyl-5-ethyl-6-methylidene-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-methylbenzamide
CID 89113168
3-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-4-methoxy-N-methylbenzamide
CID 66940991
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzohydrazide
CID 163410586
4-[(9-cyclopentyl-7,7-dimethyl-13λ3-ioda-2,4,5,9,11-pentazatricyclo[8.6.0.02,6]hexadeca-1(16),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-methylbenzamide
CID 163691206
N-cyclohexyl-4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzamide
CID 25004621
3-methoxy-N-methyl-4-[[5,7,7-trimethyl-9-(oxan-4-yl)-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]benzamide
CID 25126350
3-methoxy-N-methyl-4-[(5-methyl-6-oxo-9-propan-2-ylspiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-2-yl)amino]benzamide
CID 58153875
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide
CID 25003574
4-[(8-cyclohexyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid
CID 20761845

Frequently Asked Questions

What is the IUPAC name of 4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide?
The IUPAC name of 4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide (CID 143563210) is 4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide?
The canonical SMILES for 4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide is CNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C2(C[C@@H]2C)c2nncn2-3)c(OC)c1.
What is the InChIKey of 4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide?
The InChIKey is IJSOMAGELWSLHO-LNYMIDHXSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-14-11-24(14)22-30-27-13-31(22)18-12-26-23(29-20(18)32(24)16-6-4-5-7-16)28-17-9-8-15(21(33)25-2)10-19(17)34-3/h8-10,12-14,16H,4-7,11H2,1-3H3,(H,25,33)(H,26,28,29)/t14-,24?/m0/s1.
What are the key properties of 4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide?
4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide has a molecular weight of 460.54 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2'S)-5-cyclopentyl-2'-methylspiro[[1,2,4]triazolo[4,3-f]pteridine-4,1'-cyclopropane]-7-yl]amino]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 143563210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).