1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone

C25H36N8O — CID 146644999

IUPAC1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCCC1CC(Nc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)CC(CC)N1C(=O)CN(C)C
InChIInChI=1S/C25H36N8O/c1-6-18-13-17(14-19(7-2)33(18)23(34)15-32(4)5)26-25-27-21-11-9-8-10-20(21)24(29-25)28-22-12-16(3)30-31-22/h8-12,17-19H,6-7,13-15H2,1-5H3,(H3,26,27,28,29,30,31)
InChIKeyPJNYBEZZZRJWRX-UHFFFAOYSA-N
MW464.62 g/mol
LogP3.93
Rot. Bonds8

About 1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone

1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 146644999) has the molecular formula C25H36N8O and a molecular weight of 464.62 g/mol. Its IUPAC name is 1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone
PubChem CID146644999
Molecular FormulaC25H36N8O
Molecular Weight464.62 g/mol
Exact Mass464.30
IUPAC Name1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCCC1CC(Nc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)CC(CC)N1C(=O)CN(C)C
InChIInChI=1S/C25H36N8O/c1-6-18-13-17(14-19(7-2)33(18)23(34)15-32(4)5)26-25-27-21-11-9-8-10-20(21)24(29-25)28-22-12-16(3)30-31-22/h8-12,17-19H,6-7,13-15H2,1-5H3,(H3,26,27,28,29,30,31)
InChIKeyPJNYBEZZZRJWRX-UHFFFAOYSA-N
XLogP3.93
TPSA102.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone (CID 146644999) is 1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone is CCC1CC(Nc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)CC(CC)N1C(=O)CN(C)C.
What is the InChIKey of 1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is PJNYBEZZZRJWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N8O/c1-6-18-13-17(14-19(7-2)33(18)23(34)15-32(4)5)26-25-27-21-11-9-8-10-20(21)24(29-25)28-22-12-16(3)30-31-22/h8-12,17-19H,6-7,13-15H2,1-5H3,(H3,26,27,28,29,30,31).
What are the key properties of 1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone?
1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 464.62 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 146644999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).