5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen

C24H39N7O — CID 143090525

IUPAC5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen
SMILESCCc1cnn2c(NCc3ccc4c(c3)ncn4C)cc(NC3CCCCC3)nc12.CO.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H29N7.CH4O.3H2/c1-3-17-14-26-30-22(12-21(28-23(17)30)27-18-7-5-4-6-8-18)24-13-16-9-10-20-19(11-16)25-15-29(20)2;1-2;;;/h9-12,14-15,18,24H,3-8,13H2,1-2H3,(H,27,28);2H,1H3;3*1H
InChIKeyVNUZNOQKQZKLPA-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.88
Rot. Bonds6

About 5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen

5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen (PubChem CID 143090525) has the molecular formula C24H39N7O and a molecular weight of 441.62 g/mol. Its IUPAC name is 5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen.

Molecular Properties

Compound Name5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen
PubChem CID143090525
Molecular FormulaC24H39N7O
Molecular Weight441.62 g/mol
Exact Mass441.32
IUPAC Name5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen
SMILESCCc1cnn2c(NCc3ccc4c(c3)ncn4C)cc(NC3CCCCC3)nc12.CO.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H29N7.CH4O.3H2/c1-3-17-14-26-30-22(12-21(28-23(17)30)27-18-7-5-4-6-8-18)24-13-16-9-10-20-19(11-16)25-15-29(20)2;1-2;;;/h9-12,14-15,18,24H,3-8,13H2,1-2H3,(H,27,28);2H,1H3;3*1H
InChIKeyVNUZNOQKQZKLPA-UHFFFAOYSA-N
XLogP4.88
TPSA92.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen with MolForge

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Related Compounds

[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1S,2R)-2-[[3-bromo-7-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-ethyl-7-[(1-methylbenzimidazol-5-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 162258484
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 21067210
7-N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 163513531
ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 171081168
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone
CID 110801719
(3R,4R)-4-[[[3-ethyl-7-[(4-phenylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 167260012
3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 161390291
ethanol;3-ethyl-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 145499610
N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine
CID 167799786
3-bromo-5-N-cyclobutyl-7-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;ethane
CID 143090328
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 58938394

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen?
The IUPAC name of 5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen (CID 143090525) is 5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen.
What is the SMILES notation for 5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen?
The canonical SMILES for 5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen is CCc1cnn2c(NCc3ccc4c(c3)ncn4C)cc(NC3CCCCC3)nc12.CO.[H][H].[H][H].[H][H].
What is the InChIKey of 5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen?
The InChIKey is VNUZNOQKQZKLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7.CH4O.3H2/c1-3-17-14-26-30-22(12-21(28-23(17)30)27-18-7-5-4-6-8-18)24-13-16-9-10-20-19(11-16)25-15-29(20)2;1-2;;;/h9-12,14-15,18,24H,3-8,13H2,1-2H3,(H,27,28);2H,1H3;3*1H.
What are the key properties of 5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen?
5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen has a molecular weight of 441.62 g/mol, XLogP of 4.88, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen is sourced from PubChem (CID 143090525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).