6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide

C22H23N5O2S — CID 91818060

IUPAC6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(c4cc(-c5cccs5)[nH]n4)CC3)[nH]c2c1
InChIInChI=1S/C22H23N5O2S/c1-29-16-5-4-14-11-19(24-17(14)12-16)22(28)23-15-6-8-27(9-7-15)21-13-18(25-26-21)20-3-2-10-30-20/h2-5,10-13,15,24H,6-9H2,1H3,(H,23,28)(H,25,26)
InChIKeyVWYDEDPWLZMBPK-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.03
Rot. Bonds5

About 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide

6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide (PubChem CID 91818060) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
PubChem CID91818060
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(c4cc(-c5cccs5)[nH]n4)CC3)[nH]c2c1
InChIInChI=1S/C22H23N5O2S/c1-29-16-5-4-14-11-19(24-17(14)12-16)22(28)23-15-6-8-27(9-7-15)21-13-18(25-26-21)20-3-2-10-30-20/h2-5,10-13,15,24H,6-9H2,1H3,(H,23,28)(H,25,26)
InChIKeyVWYDEDPWLZMBPK-UHFFFAOYSA-N
XLogP4.03
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide (CID 91818060) is 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NC3CCN(c4cc(-c5cccs5)[nH]n4)CC3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide?
The InChIKey is VWYDEDPWLZMBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-29-16-5-4-14-11-19(24-17(14)12-16)22(28)23-15-6-8-27(9-7-15)21-13-18(25-26-21)20-3-2-10-30-20/h2-5,10-13,15,24H,6-9H2,1H3,(H,23,28)(H,25,26).
What are the key properties of 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide?
6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91818060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).