6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide

C19H15BrN4OS — CID 91630343

IUPAC6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide
SMILESCn1nc2cc(Br)ccc2c1C(=O)NCc1ccnc(-c2cccs2)c1
InChIInChI=1S/C19H15BrN4OS/c1-24-18(14-5-4-13(20)10-15(14)23-24)19(25)22-11-12-6-7-21-16(9-12)17-3-2-8-26-17/h2-10H,11H2,1H3,(H,22,25)
InChIKeyKDVVIEQJHCEAEV-UHFFFAOYSA-N
MW427.33 g/mol
LogP4.39
Rot. Bonds4

About 6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide

6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide (PubChem CID 91630343) has the molecular formula C19H15BrN4OS and a molecular weight of 427.33 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide
PubChem CID91630343
Molecular FormulaC19H15BrN4OS
Molecular Weight427.33 g/mol
Exact Mass426.01
IUPAC Name6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide
SMILESCn1nc2cc(Br)ccc2c1C(=O)NCc1ccnc(-c2cccs2)c1
InChIInChI=1S/C19H15BrN4OS/c1-24-18(14-5-4-13(20)10-15(14)23-24)19(25)22-11-12-6-7-21-16(9-12)17-3-2-8-26-17/h2-10H,11H2,1H3,(H,22,25)
InChIKeyKDVVIEQJHCEAEV-UHFFFAOYSA-N
XLogP4.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide?
The IUPAC name of 6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide (CID 91630343) is 6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide?
The canonical SMILES for 6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide is Cn1nc2cc(Br)ccc2c1C(=O)NCc1ccnc(-c2cccs2)c1.
What is the InChIKey of 6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide?
The InChIKey is KDVVIEQJHCEAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4OS/c1-24-18(14-5-4-13(20)10-15(14)23-24)19(25)22-11-12-6-7-21-16(9-12)17-3-2-8-26-17/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of 6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide?
6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide has a molecular weight of 427.33 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 91630343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).