N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide

C21H26N6O — CID 53184272

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCC1CN2C=NC(N3CCN(C(=O)Nc4ccc5c(c4)CCC5)CC3)=CC2=N1
InChIInChI=1S/C21H26N6O/c1-15-13-27-14-22-19(12-20(27)23-15)25-7-9-26(10-8-25)21(28)24-18-6-5-16-3-2-4-17(16)11-18/h5-6,11-12,14-15H,2-4,7-10,13H2,1H3,(H,24,28)
InChIKeyJTENLIMTWPEIHU-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.31
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide (PubChem CID 53184272) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
PubChem CID53184272
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCC1CN2C=NC(N3CCN(C(=O)Nc4ccc5c(c4)CCC5)CC3)=CC2=N1
InChIInChI=1S/C21H26N6O/c1-15-13-27-14-22-19(12-20(27)23-15)25-7-9-26(10-8-25)21(28)24-18-6-5-16-3-2-4-17(16)11-18/h5-6,11-12,14-15H,2-4,7-10,13H2,1H3,(H,24,28)
InChIKeyJTENLIMTWPEIHU-UHFFFAOYSA-N
XLogP2.31
TPSA63.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide (CID 53184272) is N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide is CC1CN2C=NC(N3CCN(C(=O)Nc4ccc5c(c4)CCC5)CC3)=CC2=N1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
The InChIKey is JTENLIMTWPEIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-13-27-14-22-19(12-20(27)23-15)25-7-9-26(10-8-25)21(28)24-18-6-5-16-3-2-4-17(16)11-18/h5-6,11-12,14-15H,2-4,7-10,13H2,1H3,(H,24,28).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53184272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).