N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide

C18H20FN7O2 — CID 166371779

IUPACN-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1cc(F)cc2[nH]c(C(=O)N3CCC3CNC(=O)CCn3cnnn3)cc12
InChIInChI=1S/C18H20FN7O2/c1-11-6-12(19)7-15-14(11)8-16(22-15)18(28)26-5-2-13(26)9-20-17(27)3-4-25-10-21-23-24-25/h6-8,10,13,22H,2-5,9H2,1H3,(H,20,27)
InChIKeyKNOAARHUFCPVKL-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.02
Rot. Bonds6

About N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide

N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 166371779) has the molecular formula C18H20FN7O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide
PubChem CID166371779
Molecular FormulaC18H20FN7O2
Molecular Weight385.40 g/mol
Exact Mass385.17
IUPAC NameN-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1cc(F)cc2[nH]c(C(=O)N3CCC3CNC(=O)CCn3cnnn3)cc12
InChIInChI=1S/C18H20FN7O2/c1-11-6-12(19)7-15-14(11)8-16(22-15)18(28)26-5-2-13(26)9-20-17(27)3-4-25-10-21-23-24-25/h6-8,10,13,22H,2-5,9H2,1H3,(H,20,27)
InChIKeyKNOAARHUFCPVKL-UHFFFAOYSA-N
XLogP1.02
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide (CID 166371779) is N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide is Cc1cc(F)cc2[nH]c(C(=O)N3CCC3CNC(=O)CCn3cnnn3)cc12.
What is the InChIKey of N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is KNOAARHUFCPVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O2/c1-11-6-12(19)7-15-14(11)8-16(22-15)18(28)26-5-2-13(26)9-20-17(27)3-4-25-10-21-23-24-25/h6-8,10,13,22H,2-5,9H2,1H3,(H,20,27).
What are the key properties of N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide?
N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 385.40 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 166371779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).