2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol

C28H37N7O2 — CID 140863815

IUPAC2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCCc1nc2ccccc2n1-c1cc(N2CCOCC2)n2nc(CN3CCC(C(C)(C)O)CC3)cc2n1
InChIInChI=1S/C28H37N7O2/c1-4-24-29-22-7-5-6-8-23(22)34(24)25-18-27(33-13-15-37-16-14-33)35-26(30-25)17-21(31-35)19-32-11-9-20(10-12-32)28(2,3)36/h5-8,17-18,20,36H,4,9-16,19H2,1-3H3
InChIKeyZNZVQZNKIRAGPZ-UHFFFAOYSA-N
MW503.65 g/mol
LogP3.45
Rot. Bonds6

About 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol

2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 140863815) has the molecular formula C28H37N7O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID140863815
Molecular FormulaC28H37N7O2
Molecular Weight503.65 g/mol
Exact Mass503.30
IUPAC Name2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCCc1nc2ccccc2n1-c1cc(N2CCOCC2)n2nc(CN3CCC(C(C)(C)O)CC3)cc2n1
InChIInChI=1S/C28H37N7O2/c1-4-24-29-22-7-5-6-8-23(22)34(24)25-18-27(33-13-15-37-16-14-33)35-26(30-25)17-21(31-35)19-32-11-9-20(10-12-32)28(2,3)36/h5-8,17-18,20,36H,4,9-16,19H2,1-3H3
InChIKeyZNZVQZNKIRAGPZ-UHFFFAOYSA-N
XLogP3.45
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-[[5-(2-ethyl-5-methoxybenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
CID 140863818
4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-[2-(difluoromethyl)benzimidazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 135382968
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
(2S,6R)-4-[1-[[5-[2-(difluoromethyl)benzimidazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]azetidin-3-yl]-2,6-dimethylmorpholine
CID 140863791
2-[1-[[9-methyl-6-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)purin-8-yl]methyl]piperidin-4-yl]propan-2-ol
CID 59605215
2-[1-[[2-[2-(hydroxymethyl)benzimidazol-1-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]propan-2-ol
CID 59605804
2-[1-[[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-[(3R)-3-methylmorpholin-4-yl]purin-8-yl]methyl]piperidin-4-yl]propan-2-ol
CID 59605429
2-[1-[[2-(2-tert-butylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]propan-2-ol
CID 59605319
2-[1-[[9-methyl-6-morpholin-4-yl-2-(2-pyrrolidin-1-ylbenzimidazol-1-yl)purin-8-yl]methyl]piperidin-4-yl]propan-2-ol
CID 59605318
2-[1-[[2-[2-(1-methoxyethyl)benzimidazol-1-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]propan-2-ol
CID 67492428
2-[1-[[2-[2-(2-methoxyethylamino)benzimidazol-1-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]propan-2-ol
CID 59605361
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol (CID 140863815) is 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol is CCc1nc2ccccc2n1-c1cc(N2CCOCC2)n2nc(CN3CCC(C(C)(C)O)CC3)cc2n1.
What is the InChIKey of 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is ZNZVQZNKIRAGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O2/c1-4-24-29-22-7-5-6-8-23(22)34(24)25-18-27(33-13-15-37-16-14-33)35-26(30-25)17-21(31-35)19-32-11-9-20(10-12-32)28(2,3)36/h5-8,17-18,20,36H,4,9-16,19H2,1-3H3.
What are the key properties of 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?
2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 503.65 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 140863815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).