4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C19H21F3N6O — CID 53184250

IUPAC4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
InChIInChI=1S/C19H21F3N6O/c1-13-11-23-17-10-16(24-12-28(13)17)26-6-8-27(9-7-26)18(29)25-15-4-2-14(3-5-15)19(20,21)22/h2-5,10,12-13H,6-9,11H2,1H3,(H,25,29)
InChIKeyODHKAQCCCRQROO-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.84
Rot. Bonds2

About 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 53184250) has the molecular formula C19H21F3N6O and a molecular weight of 406.41 g/mol. Its IUPAC name is 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID53184250
Molecular FormulaC19H21F3N6O
Molecular Weight406.41 g/mol
Exact Mass406.17
IUPAC Name4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21
InChIInChI=1S/C19H21F3N6O/c1-13-11-23-17-10-16(24-12-28(13)17)26-6-8-27(9-7-26)18(29)25-15-4-2-14(3-5-15)19(20,21)22/h2-5,10,12-13H,6-9,11H2,1H3,(H,25,29)
InChIKeyODHKAQCCCRQROO-UHFFFAOYSA-N
XLogP2.84
TPSA63.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 53184250) is 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CC1CN=C2C=C(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)N=CN21.
What is the InChIKey of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is ODHKAQCCCRQROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O/c1-13-11-23-17-10-16(24-12-28(13)17)26-6-8-27(9-7-26)18(29)25-15-4-2-14(3-5-15)19(20,21)22/h2-5,10,12-13H,6-9,11H2,1H3,(H,25,29).
What are the key properties of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 53184250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).