[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

C21H23FN2O3 — CID 174231696

IUPAC[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2cc(-c3ccc(OCC4CC4)nc3)c(F)cc2C1OC(N)=O
InChIInChI=1S/C21H23FN2O3/c1-21(2)9-14-7-15(17(22)8-16(14)19(21)27-20(23)25)13-5-6-18(24-10-13)26-11-12-3-4-12/h5-8,10,12,19H,3-4,9,11H2,1-2H3,(H2,23,25)
InChIKeyWXJGVVHAXUUNJU-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.40
Rot. Bonds5

About [5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 174231696) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is [5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID174231696
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2cc(-c3ccc(OCC4CC4)nc3)c(F)cc2C1OC(N)=O
InChIInChI=1S/C21H23FN2O3/c1-21(2)9-14-7-15(17(22)8-16(14)19(21)27-20(23)25)13-5-6-18(24-10-13)26-11-12-3-4-12/h5-8,10,12,19H,3-4,9,11H2,1-2H3,(H2,23,25)
InChIKeyWXJGVVHAXUUNJU-UHFFFAOYSA-N
XLogP4.40
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 174231696) is [5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is CC1(C)Cc2cc(-c3ccc(OCC4CC4)nc3)c(F)cc2C1OC(N)=O.
What is the InChIKey of [5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is WXJGVVHAXUUNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-21(2)9-14-7-15(17(22)8-16(14)19(21)27-20(23)25)13-5-6-18(24-10-13)26-11-12-3-4-12/h5-8,10,12,19H,3-4,9,11H2,1-2H3,(H2,23,25).
What are the key properties of [5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 370.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 174231696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).