5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine

C22H31N7O — CID 68792504

IUPAC5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCOc1cccc(CNc2nc(NC3CCC(N)CC3)nc3c(C(C)C)[nH]nc23)c1
InChIInChI=1S/C22H31N7O/c1-13(2)18-19-20(29-28-18)21(24-12-14-5-4-6-17(11-14)30-3)27-22(26-19)25-16-9-7-15(23)8-10-16/h4-6,11,13,15-16H,7-10,12,23H2,1-3H3,(H,28,29)(H2,24,25,26,27)
InChIKeyLRHXVONTPPRCTA-UHFFFAOYSA-N
MW409.54 g/mol
LogP3.78
Rot. Bonds7

About 5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine

5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine (PubChem CID 68792504) has the molecular formula C22H31N7O and a molecular weight of 409.54 g/mol. Its IUPAC name is 5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
PubChem CID68792504
Molecular FormulaC22H31N7O
Molecular Weight409.54 g/mol
Exact Mass409.26
IUPAC Name5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCOc1cccc(CNc2nc(NC3CCC(N)CC3)nc3c(C(C)C)[nH]nc23)c1
InChIInChI=1S/C22H31N7O/c1-13(2)18-19-20(29-28-18)21(24-12-14-5-4-6-17(11-14)30-3)27-22(26-19)25-16-9-7-15(23)8-10-16/h4-6,11,13,15-16H,7-10,12,23H2,1-3H3,(H,28,29)(H2,24,25,26,27)
InChIKeyLRHXVONTPPRCTA-UHFFFAOYSA-N
XLogP3.78
TPSA113.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine with MolForge

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Related Compounds

2-N-cyclohexyl-4-N-[(3-methoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 23900797
2-N-(4-aminocyclohexyl)-4-N-[(3-iodophenyl)methyl]-7-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 22086884
5-N-(2-aminocyclohexyl)-7-N-[(2-aminophenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 68759271
2-N-(4-aminocyclohexyl)-4-N-[(4-iodophenyl)methyl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 91423412
1-[3-[[[5-[(4-aminocyclohexyl)amino]-1,3-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-yl]amino]methyl]phenyl]ethanone
CID 68645238
2-[[[5-[(4-aminocyclohexyl)amino]-2H-triazolo[4,5-d]pyrimidin-7-yl]amino]methyl]-5-methoxybenzene-1,4-diol
CID 57472209
2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80797043
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-[4-[[6-[[6-(3-methoxyphenyl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide
CID 20609916
3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]benzamide;dihydrochloride
CID 18457555
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine (CID 68792504) is 5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine is COc1cccc(CNc2nc(NC3CCC(N)CC3)nc3c(C(C)C)[nH]nc23)c1.
What is the InChIKey of 5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
The InChIKey is LRHXVONTPPRCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O/c1-13(2)18-19-20(29-28-18)21(24-12-14-5-4-6-17(11-14)30-3)27-22(26-19)25-16-9-7-15(23)8-10-16/h4-6,11,13,15-16H,7-10,12,23H2,1-3H3,(H,28,29)(H2,24,25,26,27).
What are the key properties of 5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine has a molecular weight of 409.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 68792504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).