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Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate

C24H34N6O4 — CID 175970281

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtrans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate
SMILESCc1nc(-c2nnn(C)c2CNC(=O)N(C)CC2CCC2)ccc1O[C@H]1C[C@@H]1C(=O)OC(C)C
InChIInChI=1S/C24H34N6O4/c1-14(2)33-23(31)17-11-21(17)34-20-10-9-18(26-15(20)3)22-19(30(5)28-27-22)12-25-24(32)29(4)13-16-7-6-8-16/h9-10,14,16-17,21H,6-8,11-13H2,1-5H3,(H,25,32)/t17-,21-/m0/s1
InChIKeyBCUSQLIQJMGQOJ-UWJYYQICSA-N
MW470.57 g/mol
LogP2.85
Rot. Bonds9

About Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate

Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate (PubChem CID 175970281) has the molecular formula C24H34N6O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate.

Molecular Properties

Compound NameTrans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate
PubChem CID175970281
Molecular FormulaC24H34N6O4
Molecular Weight470.57 g/mol
Exact Mass470.26
IUPAC Nametrans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate
SMILESCc1nc(-c2nnn(C)c2CNC(=O)N(C)CC2CCC2)ccc1O[C@H]1C[C@@H]1C(=O)OC(C)C
InChIInChI=1S/C24H34N6O4/c1-14(2)33-23(31)17-11-21(17)34-20-10-9-18(26-15(20)3)22-19(30(5)28-27-22)12-25-24(32)29(4)13-16-7-6-8-16/h9-10,14,16-17,21H,6-8,11-13H2,1-5H3,(H,25,32)/t17-,21-/m0/s1
InChIKeyBCUSQLIQJMGQOJ-UWJYYQICSA-N
XLogP2.85
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate?
The IUPAC name of Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate (CID 175970281) is trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate.
What is the SMILES notation for Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate?
The canonical SMILES for Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate is Cc1nc(-c2nnn(C)c2CNC(=O)N(C)CC2CCC2)ccc1O[C@H]1C[C@@H]1C(=O)OC(C)C.
What is the InChIKey of Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate?
The InChIKey is BCUSQLIQJMGQOJ-UWJYYQICSA-N. The full InChI is InChI=1S/C24H34N6O4/c1-14(2)33-23(31)17-11-21(17)34-20-10-9-18(26-15(20)3)22-19(30(5)28-27-22)12-25-24(32)29(4)13-16-7-6-8-16/h9-10,14,16-17,21H,6-8,11-13H2,1-5H3,(H,25,32)/t17-,21-/m0/s1.
What are the key properties of Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate?
Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate has a molecular weight of 470.57 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate is sourced from PubChem (CID 175970281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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