N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C20H19ClFN3O2 — CID 171517891

IUPACN-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(OCc4cc(F)ccn4)cc3[nH]2)CC1
InChIInChI=1S/C20H19ClFN3O2/c1-20(3-4-20)19(26)24-10-14-6-12-7-16(21)18(9-17(12)25-14)27-11-15-8-13(22)2-5-23-15/h2,5-9,25H,3-4,10-11H2,1H3,(H,24,26)
InChIKeyWUXQAHCNCMRAHG-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.35
Rot. Bonds6

About N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171517891) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171517891
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC NameN-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(OCc4cc(F)ccn4)cc3[nH]2)CC1
InChIInChI=1S/C20H19ClFN3O2/c1-20(3-4-20)19(26)24-10-14-6-12-7-16(21)18(9-17(12)25-14)27-11-15-8-13(22)2-5-23-15/h2,5-9,25H,3-4,10-11H2,1H3,(H,24,26)
InChIKeyWUXQAHCNCMRAHG-UHFFFAOYSA-N
XLogP4.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 171517891) is N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3cc(Cl)c(OCc4cc(F)ccn4)cc3[nH]2)CC1.
What is the InChIKey of N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is WUXQAHCNCMRAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-20(3-4-20)19(26)24-10-14-6-12-7-16(21)18(9-17(12)25-14)27-11-15-8-13(22)2-5-23-15/h2,5-9,25H,3-4,10-11H2,1H3,(H,24,26).
What are the key properties of N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 387.84 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171517891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).