[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone

C21H25N7O — CID 53184302

IUPAC[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCCC1CN2C=NC(N3CCN(C(=O)c4nn(C)c5ccccc45)CC3)=CC2=N1
InChIInChI=1S/C21H25N7O/c1-3-15-13-28-14-22-18(12-19(28)23-15)26-8-10-27(11-9-26)21(29)20-16-6-4-5-7-17(16)25(2)24-20/h4-7,12,14-15H,3,8-11,13H2,1-2H3
InChIKeyAIRUWJJQDXGGTK-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.71
Rot. Bonds3

About [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone

[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 53184302) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID53184302
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCCC1CN2C=NC(N3CCN(C(=O)c4nn(C)c5ccccc45)CC3)=CC2=N1
InChIInChI=1S/C21H25N7O/c1-3-15-13-28-14-22-18(12-19(28)23-15)26-8-10-27(11-9-26)21(29)20-16-6-4-5-7-17(16)25(2)24-20/h4-7,12,14-15H,3,8-11,13H2,1-2H3
InChIKeyAIRUWJJQDXGGTK-UHFFFAOYSA-N
XLogP1.71
TPSA69.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone (CID 53184302) is [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone is CCC1CN2C=NC(N3CCN(C(=O)c4nn(C)c5ccccc45)CC3)=CC2=N1.
What is the InChIKey of [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is AIRUWJJQDXGGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-3-15-13-28-14-22-18(12-19(28)23-15)26-8-10-27(11-9-26)21(29)20-16-6-4-5-7-17(16)25(2)24-20/h4-7,12,14-15H,3,8-11,13H2,1-2H3.
What are the key properties of [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone?
[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 391.48 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 53184302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).