trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid

C28H28N6O2 — CID 142357557

About trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid (PubChem CID 142357557) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid
• PubChem CID: 142357557
• Molecular Formula: C28H28N6O2
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.23
• IUPAC Name: trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid
• SMILES: Cc1cc(-c2nnn(C)n2)cc(C)c1-c1cccc2c1CC[C@H]2Nc1ccc([C@@H]2C[C@H]2C(=O)O)nc1
• InChI: InChI=1S/C28H28N6O2/c1-15-11-17(27-31-33-34(3)32-27)12-16(2)26(15)21-6-4-5-20-19(21)8-10-25(20)30-18-7-9-24(29-14-18)22-13-23(22)28(35)36/h4-7,9,11-12,14,22-23,25,30H,8,10,13H2,1-3H3,(H,35,36)/t22-,23-,25-/m1/s1
• InChIKey: JUUKFUBTSMPEOI-VDKIKQQVSA-N
• XLogP: 4.84
• TPSA: 105.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid?

The IUPAC name of trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid (CID 142357557) is trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid is Cc1cc(-c2nnn(C)n2)cc(C)c1-c1cccc2c1CC[C@H]2Nc1ccc([C@@H]2C[C@H]2C(=O)O)nc1.

What is the InChIKey of trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid?

The InChIKey is JUUKFUBTSMPEOI-VDKIKQQVSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-15-11-17(27-31-33-34(3)32-27)12-16(2)26(15)21-6-4-5-20-19(21)8-10-25(20)30-18-7-9-24(29-14-18)22-13-23(22)28(35)36/h4-7,9,11-12,14,22-23,25,30H,8,10,13H2,1-3H3,(H,35,36)/t22-,23-,25-/m1/s1.

What are the key properties of trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid?

trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid has a molecular weight of 480.57 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 142357557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).