N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

C32H33N5O3S — CID 11238420

IUPACN-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
SMILESCOc1cc(-c2csc3c(/C=C/CN4CCC(O)CC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C32H33N5O3S/c1-36-26-8-4-3-6-21(26)16-27(36)32(39)35-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-34-31(33)29(24)30)7-5-13-37-14-11-23(38)12-15-37/h3-10,16-19,23,38H,11-15H2,1-2H3,(H2,33,34)(H,35,39)/b7-5+
InChIKeyKVZQUFXKOOQCNY-FNORWQNLSA-N
MW567.72 g/mol
LogP5.77
Rot. Bonds7

About N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide (PubChem CID 11238420) has the molecular formula C32H33N5O3S and a molecular weight of 567.72 g/mol. Its IUPAC name is N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
PubChem CID11238420
Molecular FormulaC32H33N5O3S
Molecular Weight567.72 g/mol
Exact Mass567.23
IUPAC NameN-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
SMILESCOc1cc(-c2csc3c(/C=C/CN4CCC(O)CC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C32H33N5O3S/c1-36-26-8-4-3-6-21(26)16-27(36)32(39)35-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-34-31(33)29(24)30)7-5-13-37-14-11-23(38)12-15-37/h3-10,16-19,23,38H,11-15H2,1-2H3,(H2,33,34)(H,35,39)/b7-5+
InChIKeyKVZQUFXKOOQCNY-FNORWQNLSA-N
XLogP5.77
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.72
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide with MolForge

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Related Compounds

CID 11753519
CID 11753519
CID 18450829
CID 18450829
CID 18450843
CID 18450843
CID 18451020
CID 18451020
CID 18451024
CID 18451024
CID 18451029
CID 18451029
CID 18451036
CID 18451036
CID 18451044
CID 18451044
CID 18451394
CID 18451394
CID 44432306
CID 44432306
CID 44432305
CID 44432305
CID 44432307
CID 44432307

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide (CID 11238420) is N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide is COc1cc(-c2csc3c(/C=C/CN4CCC(O)CC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C.
What is the InChIKey of N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
The InChIKey is KVZQUFXKOOQCNY-FNORWQNLSA-N. The full InChI is InChI=1S/C32H33N5O3S/c1-36-26-8-4-3-6-21(26)16-27(36)32(39)35-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-34-31(33)29(24)30)7-5-13-37-14-11-23(38)12-15-37/h3-10,16-19,23,38H,11-15H2,1-2H3,(H2,33,34)(H,35,39)/b7-5+.
What are the key properties of N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide has a molecular weight of 567.72 g/mol, XLogP of 5.77, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-7-[(E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 11238420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).