methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate

C26H23FN8O4 — CID 58686185

IUPACmethyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc(-c2nn[nH]n2)n1
InChIInChI=1S/C26H23FN8O4/c1-13-9-14(3-7-18(13)27)12-28-24(36)20-11-21(30-22(29-20)23-32-34-35-33-23)25(37)31-19-8-5-15-10-16(26(38)39-2)4-6-17(15)19/h3-4,6-7,9-11,19H,5,8,12H2,1-2H3,(H,28,36)(H,31,37)(H,32,33,34,35)/t19-/m0/s1
InChIKeyHYOKTXGPIDLENM-IBGZPJMESA-N
MW530.52 g/mol
LogP2.24
Rot. Bonds7

About methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate

methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 58686185) has the molecular formula C26H23FN8O4 and a molecular weight of 530.52 g/mol. Its IUPAC name is methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID58686185
Molecular FormulaC26H23FN8O4
Molecular Weight530.52 g/mol
Exact Mass530.18
IUPAC Namemethyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc(-c2nn[nH]n2)n1
InChIInChI=1S/C26H23FN8O4/c1-13-9-14(3-7-18(13)27)12-28-24(36)20-11-21(30-22(29-20)23-32-34-35-33-23)25(37)31-19-8-5-15-10-16(26(38)39-2)4-6-17(15)19/h3-4,6-7,9-11,19H,5,8,12H2,1-2H3,(H,28,36)(H,31,37)(H,32,33,34,35)/t19-/m0/s1
InChIKeyHYOKTXGPIDLENM-IBGZPJMESA-N
XLogP2.24
TPSA164.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.52
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 58686185) is methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc(-c2nn[nH]n2)n1.
What is the InChIKey of methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is HYOKTXGPIDLENM-IBGZPJMESA-N. The full InChI is InChI=1S/C26H23FN8O4/c1-13-9-14(3-7-18(13)27)12-28-24(36)20-11-21(30-22(29-20)23-32-34-35-33-23)25(37)31-19-8-5-15-10-16(26(38)39-2)4-6-17(15)19/h3-4,6-7,9-11,19H,5,8,12H2,1-2H3,(H,28,36)(H,31,37)(H,32,33,34,35)/t19-/m0/s1.
What are the key properties of methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 530.52 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-(2H-tetrazol-5-yl)pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 58686185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).