N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C19H20ClN3O2 — CID 171518747

IUPACN-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(OCC4=CCC=N4)cc3[nH]2)CC1
InChIInChI=1S/C19H20ClN3O2/c1-19(4-5-19)18(24)22-10-14-7-12-8-15(20)17(9-16(12)23-14)25-11-13-3-2-6-21-13/h3,6-9,23H,2,4-5,10-11H2,1H3,(H,22,24)
InChIKeyDCMJUGXBBGQELK-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.97
Rot. Bonds6

About N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171518747) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171518747
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(OCC4=CCC=N4)cc3[nH]2)CC1
InChIInChI=1S/C19H20ClN3O2/c1-19(4-5-19)18(24)22-10-14-7-12-8-15(20)17(9-16(12)23-14)25-11-13-3-2-6-21-13/h3,6-9,23H,2,4-5,10-11H2,1H3,(H,22,24)
InChIKeyDCMJUGXBBGQELK-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519375
N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927
N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trideuteriomethyl)cyclopropane-1-carboxamide
CID 171518053
N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519626
N-[[5-chloro-6-[[(2S)-1,4-dioxan-2-yl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519743
N-[[5-chloro-6-(1,3-thiazol-4-ylmethylamino)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518941
1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517859
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 171517886
1-methyl-N-[[5-[(E)-3-(methylamino)prop-2-enoyl]-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517964
N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518864
N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519678
cis-(1S,2S)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide
CID 171518553

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 171518747) is N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3cc(Cl)c(OCC4=CCC=N4)cc3[nH]2)CC1.
What is the InChIKey of N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is DCMJUGXBBGQELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-19(4-5-19)18(24)22-10-14-7-12-8-15(20)17(9-16(12)23-14)25-11-13-3-2-6-21-13/h3,6-9,23H,2,4-5,10-11H2,1H3,(H,22,24).
What are the key properties of N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.97, 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-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171518747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).