3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol

C24H35N7O3 — CID 177265349

IUPAC3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol
SMILESCCCCN(CCO)c1nc(N)nc2cn(Cc3ccc(CNC4CC(O)C4)cc3OC)nc12
InChIInChI=1S/C24H35N7O3/c1-3-4-7-30(8-9-32)23-22-20(27-24(25)28-23)15-31(29-22)14-17-6-5-16(10-21(17)34-2)13-26-18-11-19(33)12-18/h5-6,10,15,18-19,26,32-33H,3-4,7-9,11-14H2,1-2H3,(H2,25,27)
InChIKeyFUUYQKUPHILFOV-UHFFFAOYSA-N
MW469.59 g/mol
LogP1.68
Rot. Bonds12

About 3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol

3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol (PubChem CID 177265349) has the molecular formula C24H35N7O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol
PubChem CID177265349
Molecular FormulaC24H35N7O3
Molecular Weight469.59 g/mol
Exact Mass469.28
IUPAC Name3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol
SMILESCCCCN(CCO)c1nc(N)nc2cn(Cc3ccc(CNC4CC(O)C4)cc3OC)nc12
InChIInChI=1S/C24H35N7O3/c1-3-4-7-30(8-9-32)23-22-20(27-24(25)28-23)15-31(29-22)14-17-6-5-16(10-21(17)34-2)13-26-18-11-19(33)12-18/h5-6,10,15,18-19,26,32-33H,3-4,7-9,11-14H2,1-2H3,(H2,25,27)
InChIKeyFUUYQKUPHILFOV-UHFFFAOYSA-N
XLogP1.68
TPSA134.58 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol with MolForge

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Related Compounds

2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol
CID 177265496
2-[[5-amino-2-[[4-(butylaminomethyl)-2-methoxyphenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol
CID 177265278
2-[[5-amino-2-[[2-methoxy-4-(methylaminomethyl)phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]propan-1-ol
CID 177317295
2-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-(difluoromethyl)phenyl]methylamino]ethanol
CID 177265240
2-[[5-amino-2-[[2-(difluoromethyl)-4-[[(1-methylcyclobutyl)amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol
CID 177265427
2-[[5-amino-2-[[7-[[(4,4-difluorocyclohexyl)amino]methyl]-1,3-benzothiazol-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol
CID 177265272
2-[4-[2-[4-[[5-amino-7-(butylamino)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]ethyl]phenyl]ethanol
CID 148904741
2-[[5-amino-2-[[2-fluoro-6-methoxy-4-[4-(propan-2-ylamino)cyclohexen-1-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol
CID 177265494
methyl N-[7-[butyl(2-hydroxyethyl)amino]-2-[[5-[(cyclobutylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]pyrazolo[4,3-d]pyrimidin-5-yl]carbamate
CID 177265296
7-N-butyl-2-[[2-methoxy-4-(4-methylsulfonylbutyl)phenyl]methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 153163988
1-[[1-[[4-[[5-amino-7-(butylamino)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methyl]azetidin-3-yl]methyl]pyrrole-2,5-dione
CID 168839235
cis-(1S,3R)-3-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol
CID 168839286

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol (CID 177265349) is 3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol is CCCCN(CCO)c1nc(N)nc2cn(Cc3ccc(CNC4CC(O)C4)cc3OC)nc12.
What is the InChIKey of 3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol?
The InChIKey is FUUYQKUPHILFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O3/c1-3-4-7-30(8-9-32)23-22-20(27-24(25)28-23)15-31(29-22)14-17-6-5-16(10-21(17)34-2)13-26-18-11-19(33)12-18/h5-6,10,15,18-19,26,32-33H,3-4,7-9,11-14H2,1-2H3,(H2,25,27).
What are the key properties of 3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol?
3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol has a molecular weight of 469.59 g/mol, XLogP of 1.68, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[5-amino-7-[butyl(2-hydroxyethyl)amino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methylamino]cyclobutan-1-ol is sourced from PubChem (CID 177265349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).