N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide

C20H19ClF2N6O2 — CID 11973709

IUPACN-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide
SMILESCn1nnc(-c2c(F)cc(Cl)cc2-c2cnc(CNC(=O)C3(O)CCCC3)c(F)c2)n1
InChIInChI=1S/C20H19ClF2N6O2/c1-29-27-18(26-28-29)17-13(7-12(21)8-15(17)23)11-6-14(22)16(24-9-11)10-25-19(30)20(31)4-2-3-5-20/h6-9,31H,2-5,10H2,1H3,(H,25,30)
InChIKeyWUQWZSCIPJJPJX-UHFFFAOYSA-N
MW448.86 g/mol
LogP2.79
Rot. Bonds5

About N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide

N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide (PubChem CID 11973709) has the molecular formula C20H19ClF2N6O2 and a molecular weight of 448.86 g/mol. Its IUPAC name is N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide
PubChem CID11973709
Molecular FormulaC20H19ClF2N6O2
Molecular Weight448.86 g/mol
Exact Mass448.12
IUPAC NameN-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide
SMILESCn1nnc(-c2c(F)cc(Cl)cc2-c2cnc(CNC(=O)C3(O)CCCC3)c(F)c2)n1
InChIInChI=1S/C20H19ClF2N6O2/c1-29-27-18(26-28-29)17-13(7-12(21)8-15(17)23)11-6-14(22)16(24-9-11)10-25-19(30)20(31)4-2-3-5-20/h6-9,31H,2-5,10H2,1H3,(H,25,30)
InChIKeyWUQWZSCIPJJPJX-UHFFFAOYSA-N
XLogP2.79
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.86
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide (CID 11973709) is N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide is Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc(CNC(=O)C3(O)CCCC3)c(F)c2)n1.
What is the InChIKey of N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide?
The InChIKey is WUQWZSCIPJJPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N6O2/c1-29-27-18(26-28-29)17-13(7-12(21)8-15(17)23)11-6-14(22)16(24-9-11)10-25-19(30)20(31)4-2-3-5-20/h6-9,31H,2-5,10H2,1H3,(H,25,30).
What are the key properties of N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide?
N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide has a molecular weight of 448.86 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]methyl]-1-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 11973709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).