N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide

C22H23N7O2 — CID 138587138

IUPACN-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCN(Cc5ncco5)CC4)nc3c2)cn1
InChIInChI=1S/C22H23N7O2/c1-28-13-18(12-25-28)16-2-3-17-11-24-22(26-19(17)10-16)27-21(30)15-4-7-29(8-5-15)14-20-23-6-9-31-20/h2-3,6,9-13,15H,4-5,7-8,14H2,1H3,(H,24,26,27,30)
InChIKeyZUALMVLUVPGMEW-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.87
Rot. Bonds5

About N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide

N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 138587138) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID138587138
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC NameN-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCN(Cc5ncco5)CC4)nc3c2)cn1
InChIInChI=1S/C22H23N7O2/c1-28-13-18(12-25-28)16-2-3-17-11-24-22(26-19(17)10-16)27-21(30)15-4-7-29(8-5-15)14-20-23-6-9-31-20/h2-3,6,9-13,15H,4-5,7-8,14H2,1H3,(H,24,26,27,30)
InChIKeyZUALMVLUVPGMEW-UHFFFAOYSA-N
XLogP2.87
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide 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 N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide (CID 138587138) is N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)C4CCN(Cc5ncco5)CC4)nc3c2)cn1.
What is the InChIKey of N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZUALMVLUVPGMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-28-13-18(12-25-28)16-2-3-17-11-24-22(26-19(17)10-16)27-21(30)15-4-7-29(8-5-15)14-20-23-6-9-31-20/h2-3,6,9-13,15H,4-5,7-8,14H2,1H3,(H,24,26,27,30).
What are the key properties of N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide?
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 138587138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).