2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C27H34N8 — CID 158274843

IUPAC2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(N3CCCC34CCCCC4)nc12
InChIInChI=1S/C27H34N8/c1-20(2)22-19-30-35-24(22)31-26(33-16-8-14-27(33)12-6-3-7-13-27)32-25(35)28-18-21-10-4-5-11-23(21)34-17-9-15-29-34/h4-5,9-11,15,17,19-20H,3,6-8,12-14,16,18H2,1-2H3,(H,28,31,32)
InChIKeyGJMGRMPYMSDCJL-UHFFFAOYSA-N
MW470.63 g/mol
LogP5.35
Rot. Bonds6

About 2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 158274843) has the molecular formula C27H34N8 and a molecular weight of 470.63 g/mol. Its IUPAC name is 2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID158274843
Molecular FormulaC27H34N8
Molecular Weight470.63 g/mol
Exact Mass470.29
IUPAC Name2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(N3CCCC34CCCCC4)nc12
InChIInChI=1S/C27H34N8/c1-20(2)22-19-30-35-24(22)31-26(33-16-8-14-27(33)12-6-3-7-13-27)32-25(35)28-18-21-10-4-5-11-23(21)34-17-9-15-29-34/h4-5,9-11,15,17,19-20H,3,6-8,12-14,16,18H2,1-2H3,(H,28,31,32)
InChIKeyGJMGRMPYMSDCJL-UHFFFAOYSA-N
XLogP5.35
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.63
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Related Compounds

2-(1,3-diazinan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123364970
2-(azetidin-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71730101
2-(2-piperazin-1-ylethoxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71730498
5-amino-1-[8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]pentan-1-one
CID 160849457
8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]oxypyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71730492
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123647234
2-methyl-8-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123541841
8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide
CID 71732041
2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158518004
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78161993
2-methyl-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123303053
2-methyl-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;sulfur dioxide
CID 161403658

Frequently Asked Questions

What is the IUPAC name of 2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 158274843) is 2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(N3CCCC34CCCCC4)nc12.
What is the InChIKey of 2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is GJMGRMPYMSDCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8/c1-20(2)22-19-30-35-24(22)31-26(33-16-8-14-27(33)12-6-3-7-13-27)32-25(35)28-18-21-10-4-5-11-23(21)34-17-9-15-29-34/h4-5,9-11,15,17,19-20H,3,6-8,12-14,16,18H2,1-2H3,(H,28,31,32).
What are the key properties of 2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 470.63 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 158274843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).