1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide

C34H39ClN4O3 — CID 144811505

IUPAC1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide
SMILESCC(C)n1ncc2ccc(-c3ccc(C(=O)C(N)=O)cc3)cc21.Clc1cc(CCCN2CCCC2)ccc1OC1CC1
InChIInChI=1S/C18H17N3O2.C16H22ClNO/c1-11(2)21-16-9-14(7-8-15(16)10-20-21)12-3-5-13(6-4-12)17(22)18(19)23;17-15-12-13(4-3-11-18-9-1-2-10-18)5-8-16(15)19-14-6-7-14/h3-11H,1-2H3,(H2,19,23);5,8,12,14H,1-4,6-7,9-11H2
InChIKeySECJGGQYVGAMOU-UHFFFAOYSA-N
MW587.16 g/mol
LogP6.86
Rot. Bonds10

About 1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide

1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide (PubChem CID 144811505) has the molecular formula C34H39ClN4O3 and a molecular weight of 587.16 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide
PubChem CID144811505
Molecular FormulaC34H39ClN4O3
Molecular Weight587.16 g/mol
Exact Mass586.27
IUPAC Name1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide
SMILESCC(C)n1ncc2ccc(-c3ccc(C(=O)C(N)=O)cc3)cc21.Clc1cc(CCCN2CCCC2)ccc1OC1CC1
InChIInChI=1S/C18H17N3O2.C16H22ClNO/c1-11(2)21-16-9-14(7-8-15(16)10-20-21)12-3-5-13(6-4-12)17(22)18(19)23;17-15-12-13(4-3-11-18-9-1-2-10-18)5-8-16(15)19-14-6-7-14/h3-11H,1-2H3,(H2,19,23);5,8,12,14H,1-4,6-7,9-11H2
InChIKeySECJGGQYVGAMOU-UHFFFAOYSA-N
XLogP6.86
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.16
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;ethane;2-oxo-2-[4-(2-propan-2-ylindazol-5-yl)phenyl]acetamide
CID 144811407
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(triazol-2-yl)phenyl]acetamide
CID 144811873
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-[1-(4-fluorophenyl)pyrazol-4-yl]-2-oxoacetamide
CID 144811733
2-[4-(1-cyclopropylindazol-6-yl)phenyl]-2-oxoacetamide;1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine
CID 144811218
1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine
CID 118058024
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]azetidine;(2E)-4-(6-fluoronaphthalen-2-yl)-2-hydroxyiminobutanamide
CID 144811493
2-(6-chloro-1-benzothiophen-2-yl)-2-oxoacetamide;1-[3-(4-cyclopropyloxy-3-fluorophenyl)propyl]pyrrolidine
CID 144811842
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2,2-difluoro-2-[2-(4-fluorophenoxy)-4-pyridinyl]acetamide
CID 144811839
(1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-oxo-2-[4-(1-propan-2-ylindol-6-yl)phenyl]acetamide;2-oxo-2-[4-(1-propan-2-ylindol-6-yl)phenyl]acetic acid
CID 158432821
(3R)-N-[1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide
CID 134288478
ethyl 2-(3-chloro-4-cyclopropyloxyphenyl)-2-oxoacetate
CID 117425135
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide?
The IUPAC name of 1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide (CID 144811505) is 1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide.
What is the SMILES notation for 1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide?
The canonical SMILES for 1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide is CC(C)n1ncc2ccc(-c3ccc(C(=O)C(N)=O)cc3)cc21.Clc1cc(CCCN2CCCC2)ccc1OC1CC1.
What is the InChIKey of 1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide?
The InChIKey is SECJGGQYVGAMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2.C16H22ClNO/c1-11(2)21-16-9-14(7-8-15(16)10-20-21)12-3-5-13(6-4-12)17(22)18(19)23;17-15-12-13(4-3-11-18-9-1-2-10-18)5-8-16(15)19-14-6-7-14/h3-11H,1-2H3,(H2,19,23);5,8,12,14H,1-4,6-7,9-11H2.
What are the key properties of 1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide?
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide has a molecular weight of 587.16 g/mol, XLogP of 6.86, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide is sourced from PubChem (CID 144811505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).