4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C26H34N8O — CID 140863782

IUPAC4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCC(C)(C)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)cc(N4CCOCC4)n3n2)CC1
InChIInChI=1S/C26H34N8O/c1-26(2,3)33-9-7-31(8-10-33)18-19-15-24-28-23(20-5-4-6-22-21(20)17-27-29-22)16-25(34(24)30-19)32-11-13-35-14-12-32/h4-6,15-17H,7-14,18H2,1-3H3,(H,27,29)
InChIKeyFRLVLNCXWPBXMR-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.03
Rot. Bonds4

About 4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 140863782) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID140863782
Molecular FormulaC26H34N8O
Molecular Weight474.61 g/mol
Exact Mass474.29
IUPAC Name4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCC(C)(C)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)cc(N4CCOCC4)n3n2)CC1
InChIInChI=1S/C26H34N8O/c1-26(2,3)33-9-7-31(8-10-33)18-19-15-24-28-23(20-5-4-6-22-21(20)17-27-29-22)16-25(34(24)30-19)32-11-13-35-14-12-32/h4-6,15-17H,7-14,18H2,1-3H3,(H,27,29)
InChIKeyFRLVLNCXWPBXMR-UHFFFAOYSA-N
XLogP3.03
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid
CID 146216100
4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 140863792
4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-[2-(difluoromethyl)benzimidazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 135382968
4-[1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]azetidin-3-yl]-1,4-thiazinane 1,1-dioxide
CID 140863802
4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine
CID 66749609
2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
CID 140863817
4-[2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-(1H-indazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 90067975
2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
CID 53378156
4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine
CID 53353753
2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol
CID 121300711
4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine
CID 71004484
4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 57396608

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 140863782) is 4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is CC(C)(C)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)cc(N4CCOCC4)n3n2)CC1.
What is the InChIKey of 4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is FRLVLNCXWPBXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O/c1-26(2,3)33-9-7-31(8-10-33)18-19-15-24-28-23(20-5-4-6-22-21(20)17-27-29-22)16-25(34(24)30-19)32-11-13-35-14-12-32/h4-6,15-17H,7-14,18H2,1-3H3,(H,27,29).
What are the key properties of 4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 474.61 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 140863782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).