2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide

C19H17N5O2 — CID 5068847

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NCc3cccnc3)n12
InChIInChI=1S/C19H17N5O2/c1-13-9-17(25)22-19-15-6-2-3-7-16(15)23(24(13)19)12-18(26)21-11-14-5-4-8-20-10-14/h2-10H,11-12H2,1H3,(H,21,26)
InChIKeyBQGMBJVFTCRVHH-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.67
Rot. Bonds4

About 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 5068847) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID5068847
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NCc3cccnc3)n12
InChIInChI=1S/C19H17N5O2/c1-13-9-17(25)22-19-15-6-2-3-7-16(15)23(24(13)19)12-18(26)21-11-14-5-4-8-20-10-14/h2-10H,11-12H2,1H3,(H,21,26)
InChIKeyBQGMBJVFTCRVHH-UHFFFAOYSA-N
XLogP1.67
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 5069008
butan-2-yl-cyclohexyl-[2-[[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetyl]amino]ethyl]azanium
CID 3612648
6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one
CID 3709734
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 70734680
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 90978973
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50755367
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 50821337
2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 171701221

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 5068847) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide is Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCc3cccnc3)n12.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BQGMBJVFTCRVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13-9-17(25)22-19-15-6-2-3-7-16(15)23(24(13)19)12-18(26)21-11-14-5-4-8-20-10-14/h2-10H,11-12H2,1H3,(H,21,26).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 347.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 5068847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).