3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one

C24H30N6O2 — CID 154578966

IUPAC3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)n1nc(CCC(=O)N2CCN(c3ncnc4ccccc34)CC2)c2c1CCOC2
InChIInChI=1S/C24H30N6O2/c1-17(2)30-22-9-14-32-15-19(22)21(27-30)7-8-23(31)28-10-12-29(13-11-28)24-18-5-3-4-6-20(18)25-16-26-24/h3-6,16-17H,7-15H2,1-2H3
InChIKeyNCPGFOKXNVQGBW-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.76
Rot. Bonds5

About 3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one

3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one (PubChem CID 154578966) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
PubChem CID154578966
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)n1nc(CCC(=O)N2CCN(c3ncnc4ccccc34)CC2)c2c1CCOC2
InChIInChI=1S/C24H30N6O2/c1-17(2)30-22-9-14-32-15-19(22)21(27-30)7-8-23(31)28-10-12-29(13-11-28)24-18-5-3-4-6-20(18)25-16-26-24/h3-6,16-17H,7-15H2,1-2H3
InChIKeyNCPGFOKXNVQGBW-UHFFFAOYSA-N
XLogP2.76
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-methylsulfonyl-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
CID 131930952
3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 146072644
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913
tert-butyl 4-quinazolin-4-yl-1,4-diazepane-1-carboxylate
CID 69365805
N-(1-quinazolin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
CID 175650217
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid
CID 106983135
(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 70785001
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide
CID 131922852
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide
CID 126423287
2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone
CID 56902186
N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 110436378

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one (CID 154578966) is 3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one is CC(C)n1nc(CCC(=O)N2CCN(c3ncnc4ccccc34)CC2)c2c1CCOC2.
What is the InChIKey of 3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one?
The InChIKey is NCPGFOKXNVQGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17(2)30-22-9-14-32-15-19(22)21(27-30)7-8-23(31)28-10-12-29(13-11-28)24-18-5-3-4-6-20(18)25-16-26-24/h3-6,16-17H,7-15H2,1-2H3.
What are the key properties of 3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one?
3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one has a molecular weight of 434.54 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 154578966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).