N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide

C25H23N5O2S — CID 10095632

IUPACN-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCc1c(C(=O)NC2CC2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C
InChIInChI=1S/C25H23N5O2S/c1-14-22(25(31)28-15-4-5-15)17-7-6-16(12-19(17)30(14)3)32-20-8-9-26-18-13-21(33-23(18)20)24-27-10-11-29(24)2/h6-13,15H,4-5H2,1-3H3,(H,28,31)
InChIKeyHVJVXXLWPPPQCS-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.18
Rot. Bonds5

About N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide

N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (PubChem CID 10095632) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
PubChem CID10095632
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC NameN-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCc1c(C(=O)NC2CC2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C
InChIInChI=1S/C25H23N5O2S/c1-14-22(25(31)28-15-4-5-15)17-7-6-16(12-19(17)30(14)3)32-20-8-9-26-18-13-21(33-23(18)20)24-27-10-11-29(24)2/h6-13,15H,4-5H2,1-3H3,(H,28,31)
InChIKeyHVJVXXLWPPPQCS-UHFFFAOYSA-N
XLogP5.18
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (CID 10095632) is N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is Cc1c(C(=O)NC2CC2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C.
What is the InChIKey of N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The InChIKey is HVJVXXLWPPPQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-14-22(25(31)28-15-4-5-15)17-7-6-16(12-19(17)30(14)3)32-20-8-9-26-18-13-21(33-23(18)20)24-27-10-11-29(24)2/h6-13,15H,4-5H2,1-3H3,(H,28,31).
What are the key properties of N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is sourced from PubChem (CID 10095632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).