1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]

C24H31N7 — CID 95794064

IUPAC1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
SMILESc1ccc2c(c1)NC1(CCN(Cc3cnc(N4CCCCC4)nc3)CC1)N1CCN=C21
InChIInChI=1S/C24H31N7/c1-4-11-30(12-5-1)23-26-16-19(17-27-23)18-29-13-8-24(9-14-29)28-21-7-3-2-6-20(21)22-25-10-15-31(22)24/h2-3,6-7,16-17,28H,1,4-5,8-15,18H2
InChIKeyCFSGZZVYQVVEHS-UHFFFAOYSA-N
MW417.56 g/mol
LogP2.95
Rot. Bonds3

About 1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]

1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] (PubChem CID 95794064) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is 1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine].

Molecular Properties

Compound Name1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
PubChem CID95794064
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC Name1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
SMILESc1ccc2c(c1)NC1(CCN(Cc3cnc(N4CCCCC4)nc3)CC1)N1CCN=C21
InChIInChI=1S/C24H31N7/c1-4-11-30(12-5-1)23-26-16-19(17-27-23)18-29-13-8-24(9-14-29)28-21-7-3-2-6-20(21)22-25-10-15-31(22)24/h2-3,6-7,16-17,28H,1,4-5,8-15,18H2
InChIKeyCFSGZZVYQVVEHS-UHFFFAOYSA-N
XLogP2.95
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
The IUPAC name of 1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] (CID 95794064) is 1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine].
What is the SMILES notation for 1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
The canonical SMILES for 1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] is c1ccc2c(c1)NC1(CCN(Cc3cnc(N4CCCCC4)nc3)CC1)N1CCN=C21.
What is the InChIKey of 1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
The InChIKey is CFSGZZVYQVVEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7/c1-4-11-30(12-5-1)23-26-16-19(17-27-23)18-29-13-8-24(9-14-29)28-21-7-3-2-6-20(21)22-25-10-15-31(22)24/h2-3,6-7,16-17,28H,1,4-5,8-15,18H2.
What are the key properties of 1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] has a molecular weight of 417.56 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] is sourced from PubChem (CID 95794064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).