4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide

C24H25N5O2 — CID 137053762

IUPAC4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2cccc3nn4c(C5CCNCC5)cc(=O)[nH]c4c23)cc1
InChIInChI=1S/C24H25N5O2/c1-2-15-6-8-17(9-7-15)24(31)26-18-4-3-5-19-22(18)23-27-21(30)14-20(29(23)28-19)16-10-12-25-13-11-16/h3-9,14,16,25H,2,10-13H2,1H3,(H,26,31)(H,27,30)
InChIKeyMWXMMQHIOBMXTH-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.46
Rot. Bonds4

About 4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide

4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide (PubChem CID 137053762) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
PubChem CID137053762
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2cccc3nn4c(C5CCNCC5)cc(=O)[nH]c4c23)cc1
InChIInChI=1S/C24H25N5O2/c1-2-15-6-8-17(9-7-15)24(31)26-18-4-3-5-19-22(18)23-27-21(30)14-20(29(23)28-19)16-10-12-25-13-11-16/h3-9,14,16,25H,2,10-13H2,1H3,(H,26,31)(H,27,30)
InChIKeyMWXMMQHIOBMXTH-UHFFFAOYSA-N
XLogP3.46
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The IUPAC name of 4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide (CID 137053762) is 4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide is CCc1ccc(C(=O)Nc2cccc3nn4c(C5CCNCC5)cc(=O)[nH]c4c23)cc1.
What is the InChIKey of 4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The InChIKey is MWXMMQHIOBMXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-2-15-6-8-17(9-7-15)24(31)26-18-4-3-5-19-22(18)23-27-21(30)14-20(29(23)28-19)16-10-12-25-13-11-16/h3-9,14,16,25H,2,10-13H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide has a molecular weight of 415.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide is sourced from PubChem (CID 137053762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).