2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C32H30N8 — CID 25190278

IUPAC2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccc(CN4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1
InChIInChI=1S/C32H30N8/c1-22-34-32-35-31(27(21-40(32)38-22)24-7-3-2-4-8-24)26-12-10-23(11-13-26)20-39-17-14-25(15-18-39)29-19-30(37-36-29)28-9-5-6-16-33-28/h2-13,16,19,21,25H,14-15,17-18,20H2,1H3,(H,36,37)
InChIKeyRLQRMIGCRSKPPT-UHFFFAOYSA-N
MW526.65 g/mol
LogP5.93
Rot. Bonds6

About 2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 25190278) has the molecular formula C32H30N8 and a molecular weight of 526.65 g/mol. Its IUPAC name is 2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID25190278
Molecular FormulaC32H30N8
Molecular Weight526.65 g/mol
Exact Mass526.26
IUPAC Name2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccc(CN4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1
InChIInChI=1S/C32H30N8/c1-22-34-32-35-31(27(21-40(32)38-22)24-7-3-2-4-8-24)26-12-10-23(11-13-26)20-39-17-14-25(15-18-39)29-19-30(37-36-29)28-9-5-6-16-33-28/h2-13,16,19,21,25H,14-15,17-18,20H2,1H3,(H,36,37)
InChIKeyRLQRMIGCRSKPPT-UHFFFAOYSA-N
XLogP5.93
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.65
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46868852
3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
CID 25188954
2-methyl-6-phenyl-5-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68753813
2-methyl-6-phenyl-5-[4-[[4-[3-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68752733
6-(3-fluorophenyl)-2-methyl-5-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 70865124
2-methyl-6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
CID 168810806
6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 25189614
2-methyl-6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
CID 70865119
4-methyl-11-phenyl-12-[4-[[4-(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 58034776
4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177157
ethane;2-methoxy-6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
CID 143208182
5-phenyl-2-(pyridin-2-ylmethyl)-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidine
CID 123855538

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 25190278) is 2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(-c3ccc(CN4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1.
What is the InChIKey of 2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RLQRMIGCRSKPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8/c1-22-34-32-35-31(27(21-40(32)38-22)24-7-3-2-4-8-24)26-12-10-23(11-13-26)20-39-17-14-25(15-18-39)29-19-30(37-36-29)28-9-5-6-16-33-28/h2-13,16,19,21,25H,14-15,17-18,20H2,1H3,(H,36,37).
What are the key properties of 2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 526.65 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 25190278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).