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

C26H25N5O2S — CID 22143598

IUPACN-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCc1c(C(=O)NCC2CC2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C
InChIInChI=1S/C26H25N5O2S/c1-15-23(26(32)29-14-16-4-5-16)18-7-6-17(12-20(18)31(15)3)33-21-8-9-27-19-13-22(34-24(19)21)25-28-10-11-30(25)2/h6-13,16H,4-5,14H2,1-3H3,(H,29,32)
InChIKeyPTPNGUVFAXFRCO-UHFFFAOYSA-N
MW471.59 g/mol
LogP5.43
Rot. Bonds6

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

N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (PubChem CID 22143598) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
PubChem CID22143598
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC NameN-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCc1c(C(=O)NCC2CC2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C
InChIInChI=1S/C26H25N5O2S/c1-15-23(26(32)29-14-16-4-5-16)18-7-6-17(12-20(18)31(15)3)33-21-8-9-27-19-13-22(34-24(19)21)25-28-10-11-30(25)2/h6-13,16H,4-5,14H2,1-3H3,(H,29,32)
InChIKeyPTPNGUVFAXFRCO-UHFFFAOYSA-N
XLogP5.43
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.59
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (CID 22143598) is N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is Cc1c(C(=O)NCC2CC2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C.
What is the InChIKey of N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The InChIKey is PTPNGUVFAXFRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-15-23(26(32)29-14-16-4-5-16)18-7-6-17(12-20(18)31(15)3)33-21-8-9-27-19-13-22(34-24(19)21)25-28-10-11-30(25)2/h6-13,16H,4-5,14H2,1-3H3,(H,29,32).
What are the key properties of N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is sourced from PubChem (CID 22143598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).