N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide

C22H26N10O — CID 138590816

IUPACN-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
SMILESCC(C)N1CCC(n2cc(C(=O)Nc3ncc4ccc(-c5cn(C)nn5)cc4n3)nn2)CC1
InChIInChI=1S/C22H26N10O/c1-14(2)31-8-6-17(7-9-31)32-13-20(27-29-32)21(33)25-22-23-11-16-5-4-15(10-18(16)24-22)19-12-30(3)28-26-19/h4-5,10-14,17H,6-9H2,1-3H3,(H,23,24,25,33)
InChIKeyIAYNXSZTRSJPRI-UHFFFAOYSA-N
MW446.52 g/mol
LogP2.31
Rot. Bonds5

About N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide

N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide (PubChem CID 138590816) has the molecular formula C22H26N10O and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
PubChem CID138590816
Molecular FormulaC22H26N10O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC NameN-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
SMILESCC(C)N1CCC(n2cc(C(=O)Nc3ncc4ccc(-c5cn(C)nn5)cc4n3)nn2)CC1
InChIInChI=1S/C22H26N10O/c1-14(2)31-8-6-17(7-9-31)32-13-20(27-29-32)21(33)25-22-23-11-16-5-4-15(10-18(16)24-22)19-12-30(3)28-26-19/h4-5,10-14,17H,6-9H2,1-3H3,(H,23,24,25,33)
InChIKeyIAYNXSZTRSJPRI-UHFFFAOYSA-N
XLogP2.31
TPSA119.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 147372475
2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 147858441
N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138587820
1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]ethanone
CID 160657363
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138590730
N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 138586828
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 138590403
N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 138590950
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]propan-2-one
CID 161213264
2-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
CID 161155685
tert-butyl 4-[4-[[2-[6-(propan-2-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]carbamoyl]triazol-1-yl]piperidine-1-carboxylate
CID 138591386
(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
CID 138591844

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide?
The IUPAC name of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide (CID 138590816) is N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide.
What is the SMILES notation for N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide?
The canonical SMILES for N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide is CC(C)N1CCC(n2cc(C(=O)Nc3ncc4ccc(-c5cn(C)nn5)cc4n3)nn2)CC1.
What is the InChIKey of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide?
The InChIKey is IAYNXSZTRSJPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N10O/c1-14(2)31-8-6-17(7-9-31)32-13-20(27-29-32)21(33)25-22-23-11-16-5-4-15(10-18(16)24-22)19-12-30(3)28-26-19/h4-5,10-14,17H,6-9H2,1-3H3,(H,23,24,25,33).
What are the key properties of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide?
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 138590816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).