(2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate

C19H19ClFN7O3 — CID 156698717

IUPAC(2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate
SMILESCN(C(=O)Oc1nnn(C)n1)C1CCc2c1cn(C)c2C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H19ClFN7O3/c1-26-9-12-11(16(26)17(29)22-10-4-6-14(21)13(20)8-10)5-7-15(12)27(2)19(30)31-18-23-25-28(3)24-18/h4,6,8-9,15H,5,7H2,1-3H3,(H,22,29)
InChIKeyTYOJBZKGYSTEPT-UHFFFAOYSA-N
MW447.86 g/mol
LogP2.71
Rot. Bonds4

About (2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate

(2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate (PubChem CID 156698717) has the molecular formula C19H19ClFN7O3 and a molecular weight of 447.86 g/mol. Its IUPAC name is (2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate.

Molecular Properties

Compound Name(2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate
PubChem CID156698717
Molecular FormulaC19H19ClFN7O3
Molecular Weight447.86 g/mol
Exact Mass447.12
IUPAC Name(2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate
SMILESCN(C(=O)Oc1nnn(C)n1)C1CCc2c1cn(C)c2C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H19ClFN7O3/c1-26-9-12-11(16(26)17(29)22-10-4-6-14(21)13(20)8-10)5-7-15(12)27(2)19(30)31-18-23-25-28(3)24-18/h4,6,8-9,15H,5,7H2,1-3H3,(H,22,29)
InChIKeyTYOJBZKGYSTEPT-UHFFFAOYSA-N
XLogP2.71
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.86
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate
CID 156698720
(1-methyl-1,2,4-triazol-3-yl) N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-yl]-N-methylcarbamate
CID 156698722
2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate
CID 156698751
1-[[(6R)-3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamoyloxymethyl]-3,3-difluorocyclobutane-1-carboxylic acid
CID 175882203
1-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamoyloxymethyl]-3,3-difluorocyclobutane-1-carboxylic acid
CID 146309409
[(2S)-6-oxopiperidin-2-yl] N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
CID 175444814
6-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;methane;pent-2-ynyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;pent-2-ynyl imidazole-1-carboxylate
CID 160814428
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide
CID 146309492
[3-[(4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamic acid
CID 146309457
N-(3-chloro-4-fluorophenyl)-5-(5-fluoro-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)-3-methylimidazole-4-carboxamide
CID 156897786
5-chloro-N-(3-chloro-4-fluorophenyl)-3-(5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-1-methylpyrrole-2-carboxamide
CID 156897943

Frequently Asked Questions

What is the IUPAC name of (2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate?
The IUPAC name of (2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate (CID 156698717) is (2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate.
What is the SMILES notation for (2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate?
The canonical SMILES for (2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate is CN(C(=O)Oc1nnn(C)n1)C1CCc2c1cn(C)c2C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate?
The InChIKey is TYOJBZKGYSTEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN7O3/c1-26-9-12-11(16(26)17(29)22-10-4-6-14(21)13(20)8-10)5-7-15(12)27(2)19(30)31-18-23-25-28(3)24-18/h4,6,8-9,15H,5,7H2,1-3H3,(H,22,29).
What are the key properties of (2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate?
(2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate has a molecular weight of 447.86 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate is sourced from PubChem (CID 156698717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).