N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

C22H28N6O3 — CID 172882059

IUPACN-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCOc1cc2ncnc(N3CCC(N(C)C(=O)c4cc(C)n(C)n4)CC3)c2cc1OC
InChIInChI=1S/C22H28N6O3/c1-14-10-18(25-27(14)3)22(29)26(2)15-6-8-28(9-7-15)21-16-11-19(30-4)20(31-5)12-17(16)23-13-24-21/h10-13,15H,6-9H2,1-5H3
InChIKeyGTNDTKDSXOTGTO-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.43
Rot. Bonds5

About N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 172882059) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID172882059
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCOc1cc2ncnc(N3CCC(N(C)C(=O)c4cc(C)n(C)n4)CC3)c2cc1OC
InChIInChI=1S/C22H28N6O3/c1-14-10-18(25-27(14)3)22(29)26(2)15-6-8-28(9-7-15)21-16-11-19(30-4)20(31-5)12-17(16)23-13-24-21/h10-13,15H,6-9H2,1-5H3
InChIKeyGTNDTKDSXOTGTO-UHFFFAOYSA-N
XLogP2.43
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 172881810
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892514
[cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate
CID 155125456
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172881149
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide
CID 171705302
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 172882059) is N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is COc1cc2ncnc(N3CCC(N(C)C(=O)c4cc(C)n(C)n4)CC3)c2cc1OC.
What is the InChIKey of N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is GTNDTKDSXOTGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-14-10-18(25-27(14)3)22(29)26(2)15-6-8-28(9-7-15)21-16-11-19(30-4)20(31-5)12-17(16)23-13-24-21/h10-13,15H,6-9H2,1-5H3.
What are the key properties of N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172882059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).