2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C22H23N5OS — CID 52944963

IUPAC2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCn1ccc2cc(-c3cc4c(N[C@H]5CCCNC5)ncc(C(N)=O)c4s3)ccc21
InChIInChI=1S/C22H23N5OS/c1-27-8-6-13-9-14(4-5-18(13)27)19-10-16-20(29-19)17(21(23)28)12-25-22(16)26-15-3-2-7-24-11-15/h4-6,8-10,12,15,24H,2-3,7,11H2,1H3,(H2,23,28)(H,25,26)/t15-/m0/s1
InChIKeyCSOUHKGJOCAQOJ-HNNXBMFYSA-N
MW405.53 g/mol
LogP3.72
Rot. Bonds4

About 2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52944963) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52944963
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCn1ccc2cc(-c3cc4c(N[C@H]5CCCNC5)ncc(C(N)=O)c4s3)ccc21
InChIInChI=1S/C22H23N5OS/c1-27-8-6-13-9-14(4-5-18(13)27)19-10-16-20(29-19)17(21(23)28)12-25-22(16)26-15-3-2-7-24-11-15/h4-6,8-10,12,15,24H,2-3,7,11H2,1H3,(H2,23,28)(H,25,26)/t15-/m0/s1
InChIKeyCSOUHKGJOCAQOJ-HNNXBMFYSA-N
XLogP3.72
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52944963) is 2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is Cn1ccc2cc(-c3cc4c(N[C@H]5CCCNC5)ncc(C(N)=O)c4s3)ccc21.
What is the InChIKey of 2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is CSOUHKGJOCAQOJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-27-8-6-13-9-14(4-5-18(13)27)19-10-16-20(29-19)17(21(23)28)12-25-22(16)26-15-3-2-7-24-11-15/h4-6,8-10,12,15,24H,2-3,7,11H2,1H3,(H2,23,28)(H,25,26)/t15-/m0/s1.
What are the key properties of 2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 405.53 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52944963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).