2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide

C20H18BrN5O — CID 71700823

IUPAC2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCc1ccccn1
InChIInChI=1S/C20H18BrN5O/c1-12-17(10-19(27)23-11-15-5-3-4-8-22-15)13(2)26-20(24-12)16-7-6-14(21)9-18(16)25-26/h3-9H,10-11H2,1-2H3,(H,23,27)
InChIKeyJTGIQQHFXOWPKL-UHFFFAOYSA-N
MW424.30 g/mol
LogP3.52
Rot. Bonds4

About 2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 71700823) has the molecular formula C20H18BrN5O and a molecular weight of 424.30 g/mol. Its IUPAC name is 2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID71700823
Molecular FormulaC20H18BrN5O
Molecular Weight424.30 g/mol
Exact Mass423.07
IUPAC Name2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCc1ccccn1
InChIInChI=1S/C20H18BrN5O/c1-12-17(10-19(27)23-11-15-5-3-4-8-22-15)13(2)26-20(24-12)16-7-6-14(21)9-18(16)25-26/h3-9H,10-11H2,1-2H3,(H,23,27)
InChIKeyJTGIQQHFXOWPKL-UHFFFAOYSA-N
XLogP3.52
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603845
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
N-(pyridin-2-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35511571
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35322613
2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 171476841
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 29132462
4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propanoic acid
CID 119351132

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 71700823) is 2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCc1ccccn1.
What is the InChIKey of 2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is JTGIQQHFXOWPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN5O/c1-12-17(10-19(27)23-11-15-5-3-4-8-22-15)13(2)26-20(24-12)16-7-6-14(21)9-18(16)25-26/h3-9H,10-11H2,1-2H3,(H,23,27).
What are the key properties of 2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 424.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 71700823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).