N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

C27H26N4O3S — CID 10413137

IUPACN,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2cccc(OCc3ccccc3)c21
InChIInChI=1S/C27H26N4O3S/c1-30(2)27(33)31-15-21(25(32)22-17-35-26(29-22)19-10-7-13-28-14-19)20-11-6-12-23(24(20)31)34-16-18-8-4-3-5-9-18/h3-15,22,26,29H,16-17H2,1-2H3/t22-,26?/m0/s1
InChIKeyGICSEUMPYUINDH-CHQVSRGASA-N
MW486.60 g/mol
LogP4.73
Rot. Bonds6

About N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (PubChem CID 10413137) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
PubChem CID10413137
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC NameN,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2cccc(OCc3ccccc3)c21
InChIInChI=1S/C27H26N4O3S/c1-30(2)27(33)31-15-21(25(32)22-17-35-26(29-22)19-10-7-13-28-14-19)20-11-6-12-23(24(20)31)34-16-18-8-4-3-5-9-18/h3-15,22,26,29H,16-17H2,1-2H3/t22-,26?/m0/s1
InChIKeyGICSEUMPYUINDH-CHQVSRGASA-N
XLogP4.73
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The IUPAC name of N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (CID 10413137) is N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2cccc(OCc3ccccc3)c21.
What is the InChIKey of N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The InChIKey is GICSEUMPYUINDH-CHQVSRGASA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-30(2)27(33)31-15-21(25(32)22-17-35-26(29-22)19-10-7-13-28-14-19)20-11-6-12-23(24(20)31)34-16-18-8-4-3-5-9-18/h3-15,22,26,29H,16-17H2,1-2H3/t22-,26?/m0/s1.
What are the key properties of N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 10413137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).