6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide

C20H21BrN4O2 — CID 91629779

IUPAC6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide
SMILESCn1nc2cc(Br)ccc2c1C(=O)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C20H21BrN4O2/c1-25-19(16-5-4-15(21)11-17(16)24-25)20(26)23-18(13-6-9-27-10-7-13)14-3-2-8-22-12-14/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H,23,26)
InChIKeyIIPBKBFJLPLLBI-UHFFFAOYSA-N
MW429.32 g/mol
LogP3.63
Rot. Bonds4

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

6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide (PubChem CID 91629779) has the molecular formula C20H21BrN4O2 and a molecular weight of 429.32 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide
PubChem CID91629779
Molecular FormulaC20H21BrN4O2
Molecular Weight429.32 g/mol
Exact Mass428.08
IUPAC Name6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide
SMILESCn1nc2cc(Br)ccc2c1C(=O)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C20H21BrN4O2/c1-25-19(16-5-4-15(21)11-17(16)24-25)20(26)23-18(13-6-9-27-10-7-13)14-3-2-8-22-12-14/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H,23,26)
InChIKeyIIPBKBFJLPLLBI-UHFFFAOYSA-N
XLogP3.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 91629784
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
CID 136564730
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629820
N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823
2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 100699932
N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 100701151
2-benzylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 91629752
(E)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-3-phenylprop-2-enamide
CID 100699545
1-(1-adamantyl)-3-[oxan-4-yl(pyridin-3-yl)methyl]urea
CID 91629831
3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide
CID 91629768

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide?
The IUPAC name of 6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide (CID 91629779) is 6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide?
The canonical SMILES for 6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide is Cn1nc2cc(Br)ccc2c1C(=O)NC(c1cccnc1)C1CCOCC1.
What is the InChIKey of 6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide?
The InChIKey is IIPBKBFJLPLLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O2/c1-25-19(16-5-4-15(21)11-17(16)24-25)20(26)23-18(13-6-9-27-10-7-13)14-3-2-8-22-12-14/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H,23,26).
What are the key properties of 6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide?
6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide has a molecular weight of 429.32 g/mol, XLogP of 3.63, 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-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 91629779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).