1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine

C29H35N7O — CID 144944093

IUPAC1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESNCC1CCC(Cn2nc(-c3ccc(N4CCOCC4)cc3)c3cnc(Nc4ccccc4)nc32)CC1
InChIInChI=1S/C29H35N7O/c30-18-21-6-8-22(9-7-21)20-36-28-26(19-31-29(33-28)32-24-4-2-1-3-5-24)27(34-36)23-10-12-25(13-11-23)35-14-16-37-17-15-35/h1-5,10-13,19,21-22H,6-9,14-18,20,30H2,(H,31,32,33)
InChIKeyAEGIXHVJGBJCCC-UHFFFAOYSA-N
MW497.65 g/mol
LogP4.84
Rot. Bonds7

About 1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine

1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 144944093) has the molecular formula C29H35N7O and a molecular weight of 497.65 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID144944093
Molecular FormulaC29H35N7O
Molecular Weight497.65 g/mol
Exact Mass497.29
IUPAC Name1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESNCC1CCC(Cn2nc(-c3ccc(N4CCOCC4)cc3)c3cnc(Nc4ccccc4)nc32)CC1
InChIInChI=1S/C29H35N7O/c30-18-21-6-8-22(9-7-21)20-36-28-26(19-31-29(33-28)32-24-4-2-1-3-5-24)27(34-36)23-10-12-25(13-11-23)35-14-16-37-17-15-35/h1-5,10-13,19,21-22H,6-9,14-18,20,30H2,(H,31,32,33)
InChIKeyAEGIXHVJGBJCCC-UHFFFAOYSA-N
XLogP4.84
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethyl)-N-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 144944070
4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385710
2-(cyclopropylmethyl)-1-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-(4-morpholin-4-ylanilino)pyrazolo[3,4-d]pyrimidin-3-one
CID 134184486
4-[6-(butylamino)-1-[(4-hydroxycyclohexyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]benzenesulfonic acid
CID 88890588
4-[1-[(4-aminocyclohexyl)methyl]-6-(butylamino)pyrazolo[3,4-d]pyrimidin-3-yl]benzohydrazide
CID 71289202
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
1-cyclopentyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 59686676
1-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 68774816
4-morpholin-4-yl-N-phenylaniline
CID 159018746
4-[6-(butylamino)-1-[(4-hydroxycyclohexyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-methylbenzenesulfonamide
CID 71289192
2-cyclopropyl-1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]ethanone
CID 157060692
7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 67325664

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine (CID 144944093) is 1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine is NCC1CCC(Cn2nc(-c3ccc(N4CCOCC4)cc3)c3cnc(Nc4ccccc4)nc32)CC1.
What is the InChIKey of 1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is AEGIXHVJGBJCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O/c30-18-21-6-8-22(9-7-21)20-36-28-26(19-31-29(33-28)32-24-4-2-1-3-5-24)27(34-36)23-10-12-25(13-11-23)35-14-16-37-17-15-35/h1-5,10-13,19,21-22H,6-9,14-18,20,30H2,(H,31,32,33).
What are the key properties of 1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine?
1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 497.65 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 144944093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).