4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C29H38N8O — CID 140863792

IUPAC4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCN1CCN(C2CCN(Cc3cc4nc(-c5cccc6[nH]ccc56)cc(N5CCOCC5)n4n3)CC2)CC1
InChIInChI=1S/C29H38N8O/c1-33-11-13-35(14-12-33)23-6-9-34(10-7-23)21-22-19-28-31-27(24-3-2-4-26-25(24)5-8-30-26)20-29(37(28)32-22)36-15-17-38-18-16-36/h2-5,8,19-20,23,30H,6-7,9-18,21H2,1H3
InChIKeyVJNBWPAOLXJVEU-UHFFFAOYSA-N
MW514.68 g/mol
LogP2.93
Rot. Bonds5

About 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 140863792) has the molecular formula C29H38N8O and a molecular weight of 514.68 g/mol. Its IUPAC name is 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID140863792
Molecular FormulaC29H38N8O
Molecular Weight514.68 g/mol
Exact Mass514.32
IUPAC Name4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCN1CCN(C2CCN(Cc3cc4nc(-c5cccc6[nH]ccc56)cc(N5CCOCC5)n4n3)CC2)CC1
InChIInChI=1S/C29H38N8O/c1-33-11-13-35(14-12-33)23-6-9-34(10-7-23)21-22-19-28-31-27(24-3-2-4-26-25(24)5-8-30-26)20-29(37(28)32-22)36-15-17-38-18-16-36/h2-5,8,19-20,23,30H,6-7,9-18,21H2,1H3
InChIKeyVJNBWPAOLXJVEU-UHFFFAOYSA-N
XLogP2.93
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.68
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine with MolForge

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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-[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-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 140863782
1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one
CID 68795235
4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine
CID 68574038
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
N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide
CID 163266595
6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25124048
4-[6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 58117040
4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 58137106
5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-1H-indole
CID 77090131
[4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid
CID 68762454

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 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) is 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is CN1CCN(C2CCN(Cc3cc4nc(-c5cccc6[nH]ccc56)cc(N5CCOCC5)n4n3)CC2)CC1.
What is the InChIKey of 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is VJNBWPAOLXJVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O/c1-33-11-13-35(14-12-33)23-6-9-34(10-7-23)21-22-19-28-31-27(24-3-2-4-26-25(24)5-8-30-26)20-29(37(28)32-22)36-15-17-38-18-16-36/h2-5,8,19-20,23,30H,6-7,9-18,21H2,1H3.
What are the key properties of 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 514.68 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 140863792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).