N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide

C23H28N8O2 — CID 138590403

IUPACN-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCN(C(=O)CN5CCCC5)CC4)nc3c2)nn1
InChIInChI=1S/C23H28N8O2/c1-29-14-20(27-28-29)17-4-5-18-13-24-23(25-19(18)12-17)26-22(33)16-6-10-31(11-7-16)21(32)15-30-8-2-3-9-30/h4-5,12-14,16H,2-3,6-11,15H2,1H3,(H,24,25,26,33)
InChIKeyFTXNDTHFNXEDGB-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.70
Rot. Bonds5

About N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide

N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide (PubChem CID 138590403) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
PubChem CID138590403
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC NameN-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCN(C(=O)CN5CCCC5)CC4)nc3c2)nn1
InChIInChI=1S/C23H28N8O2/c1-29-14-20(27-28-29)17-4-5-18-13-24-23(25-19(18)12-17)26-22(33)16-6-10-31(11-7-16)21(32)15-30-8-2-3-9-30/h4-5,12-14,16H,2-3,6-11,15H2,1H3,(H,24,25,26,33)
InChIKeyFTXNDTHFNXEDGB-UHFFFAOYSA-N
XLogP1.70
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)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

Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138587464
1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide
CID 138586722
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 138590816
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138590730
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]propan-2-one
CID 161213264
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 138587014
1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138592093
4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138588625
N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
CID 138587041
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138589175
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide
CID 138587907
N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 154965834

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide (CID 138590403) is N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)C4CCN(C(=O)CN5CCCC5)CC4)nc3c2)nn1.
What is the InChIKey of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
The InChIKey is FTXNDTHFNXEDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-29-14-20(27-28-29)17-4-5-18-13-24-23(25-19(18)12-17)26-22(33)16-6-10-31(11-7-16)21(32)15-30-8-2-3-9-30/h4-5,12-14,16H,2-3,6-11,15H2,1H3,(H,24,25,26,33).
What are the key properties of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 138590403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).