3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide

C21H19N3O2S — CID 23589781

IUPAC3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCC1CC1
InChIInChI=1S/C21H19N3O2S/c1-26-17-10-16-14(9-15(17)21(25)22-11-12-6-7-12)20(24-23-16)19-8-13-4-2-3-5-18(13)27-19/h2-5,8-10,12H,6-7,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyUGLYCCUDNXLOLK-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.59
Rot. Bonds5

About 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide (PubChem CID 23589781) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide
PubChem CID23589781
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCC1CC1
InChIInChI=1S/C21H19N3O2S/c1-26-17-10-16-14(9-15(17)21(25)22-11-12-6-7-12)20(24-23-16)19-8-13-4-2-3-5-18(13)27-19/h2-5,8-10,12H,6-7,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyUGLYCCUDNXLOLK-UHFFFAOYSA-N
XLogP4.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide (CID 23589781) is 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCC1CC1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
The InChIKey is UGLYCCUDNXLOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-26-17-10-16-14(9-15(17)21(25)22-11-12-6-7-12)20(24-23-16)19-8-13-4-2-3-5-18(13)27-19/h2-5,8-10,12H,6-7,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).