6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide

C27H25FN4O3S — CID 67834345

IUPAC6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1[nH]c2cc(OCc3ccc(F)cc3)ccc2c1C(=O)C1CSN(c2cccnc2)C1
InChIInChI=1S/C27H25FN4O3S/c1-31(2)27(34)25-24(26(33)18-14-32(36-16-18)20-4-3-11-29-13-20)22-10-9-21(12-23(22)30-25)35-15-17-5-7-19(28)8-6-17/h3-13,18,30H,14-16H2,1-2H3
InChIKeyUTLZLRBANQCKQA-UHFFFAOYSA-N
MW504.59 g/mol
LogP4.95
Rot. Bonds7

About 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide

6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide (PubChem CID 67834345) has the molecular formula C27H25FN4O3S and a molecular weight of 504.59 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide
PubChem CID67834345
Molecular FormulaC27H25FN4O3S
Molecular Weight504.59 g/mol
Exact Mass504.16
IUPAC Name6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1[nH]c2cc(OCc3ccc(F)cc3)ccc2c1C(=O)C1CSN(c2cccnc2)C1
InChIInChI=1S/C27H25FN4O3S/c1-31(2)27(34)25-24(26(33)18-14-32(36-16-18)20-4-3-11-29-13-20)22-10-9-21(12-23(22)30-25)35-15-17-5-7-19(28)8-6-17/h3-13,18,30H,14-16H2,1-2H3
InChIKeyUTLZLRBANQCKQA-UHFFFAOYSA-N
XLogP4.95
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylcarbamoyl)-6-phenylmethoxy-1H-indole-3-carbonyl]-2-pyridin-3-yl-1,2-thiazolidine-3-carboxamide
CID 67835593
ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate
CID 67835010
[6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 10048500
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55772817
6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide
CID 67761828
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid
CID 67809642
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770583
(2R)-1-[(4-fluorophenyl)methyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 95786833
1-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]ethane-1,2-dione
CID 110169325
bis[5-phenylmethoxy-1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indol-3-yl] oxalate
CID 57040905

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide (CID 67834345) is 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide is CN(C)C(=O)c1[nH]c2cc(OCc3ccc(F)cc3)ccc2c1C(=O)C1CSN(c2cccnc2)C1.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide?
The InChIKey is UTLZLRBANQCKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O3S/c1-31(2)27(34)25-24(26(33)18-14-32(36-16-18)20-4-3-11-29-13-20)22-10-9-21(12-23(22)30-25)35-15-17-5-7-19(28)8-6-17/h3-13,18,30H,14-16H2,1-2H3.
What are the key properties of 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide?
6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 67834345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).