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

C24H26N6 — CID 95794058

IUPAC1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
SMILESc1cncc(-n2cccc2CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)c1
InChIInChI=1S/C24H26N6/c1-2-8-22-21(7-1)23-26-12-16-30(23)24(27-22)9-14-28(15-10-24)18-20-6-4-13-29(20)19-5-3-11-25-17-19/h1-8,11,13,17,27H,9-10,12,14-16,18H2
InChIKeySVETUZAAHLCUKH-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.35
Rot. Bonds3

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

1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] (PubChem CID 95794058) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine].

Molecular Properties

Compound Name1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
PubChem CID95794058
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
SMILESc1cncc(-n2cccc2CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)c1
InChIInChI=1S/C24H26N6/c1-2-8-22-21(7-1)23-26-12-16-30(23)24(27-22)9-14-28(15-10-24)18-20-6-4-13-29(20)19-5-3-11-25-17-19/h1-8,11,13,17,27H,9-10,12,14-16,18H2
InChIKeySVETUZAAHLCUKH-UHFFFAOYSA-N
XLogP3.35
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
The IUPAC name of 1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] (CID 95794058) is 1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine].
What is the SMILES notation for 1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
The canonical SMILES for 1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] is c1cncc(-n2cccc2CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)c1.
What is the InChIKey of 1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
The InChIKey is SVETUZAAHLCUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-2-8-22-21(7-1)23-26-12-16-30(23)24(27-22)9-14-28(15-10-24)18-20-6-4-13-29(20)19-5-3-11-25-17-19/h1-8,11,13,17,27H,9-10,12,14-16,18H2.
What are the key properties of 1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] has a molecular weight of 398.51 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] is sourced from PubChem (CID 95794058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).