6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one

C19H23N5O2 — CID 3709734

IUPAC6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one
SMILESCCN1CCN(C(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)CC1
InChIInChI=1S/C19H23N5O2/c1-3-21-8-10-22(11-9-21)18(26)13-23-16-7-5-4-6-15(16)19-20-17(25)12-14(2)24(19)23/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyBFUQUBBXAOZKAI-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.12
Rot. Bonds3

About 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one

6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one (PubChem CID 3709734) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one
PubChem CID3709734
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one
SMILESCCN1CCN(C(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)CC1
InChIInChI=1S/C19H23N5O2/c1-3-21-8-10-22(11-9-21)18(26)13-23-16-7-5-4-6-15(16)19-20-17(25)12-14(2)24(19)23/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyBFUQUBBXAOZKAI-UHFFFAOYSA-N
XLogP1.12
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one?
The IUPAC name of 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one (CID 3709734) is 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one is CCN1CCN(C(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)CC1.
What is the InChIKey of 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one?
The InChIKey is BFUQUBBXAOZKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-21-8-10-22(11-9-21)18(26)13-23-16-7-5-4-6-15(16)19-20-17(25)12-14(2)24(19)23/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one?
6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 3709734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).