2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol

C24H35N7O3 — CID 177265496

IUPAC2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol
SMILESCCCCN(CCO)c1nc(N)nc2cn(Cc3ccc(CN[C@H]4CCOC4)cc3OC)nc12
InChIInChI=1S/C24H35N7O3/c1-3-4-8-30(9-10-32)23-22-20(27-24(25)28-23)15-31(29-22)14-18-6-5-17(12-21(18)33-2)13-26-19-7-11-34-16-19/h5-6,12,15,19,26,32H,3-4,7-11,13-14,16H2,1-2H3,(H2,25,27)/t19-/m0/s1
InChIKeyXQKGPLJTBSUAEU-IBGZPJMESA-N
MW469.59 g/mol
LogP1.94
Rot. Bonds12

About 2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol

2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol (PubChem CID 177265496) has the molecular formula C24H35N7O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol.

Molecular Properties

Compound Name2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol
PubChem CID177265496
Molecular FormulaC24H35N7O3
Molecular Weight469.59 g/mol
Exact Mass469.28
IUPAC Name2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol
SMILESCCCCN(CCO)c1nc(N)nc2cn(Cc3ccc(CN[C@H]4CCOC4)cc3OC)nc12
InChIInChI=1S/C24H35N7O3/c1-3-4-8-30(9-10-32)23-22-20(27-24(25)28-23)15-31(29-22)14-18-6-5-17(12-21(18)33-2)13-26-19-7-11-34-16-19/h5-6,12,15,19,26,32H,3-4,7-11,13-14,16H2,1-2H3,(H2,25,27)/t19-/m0/s1
InChIKeyXQKGPLJTBSUAEU-IBGZPJMESA-N
XLogP1.94
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol with MolForge

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Related Compounds

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
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-[[7-[[(4,4-difluorocyclohexyl)amino]methyl]-1,3-benzothiazol-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol
CID 177265272
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-[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
7-N-butyl-1-[[2-methoxy-4-[(oxan-4-ylamino)methyl]phenyl]methyl]-3-methylpyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 170155848
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
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
7-N-butyl-2-[[2-methoxy-4-(4-methylsulfonylbutyl)phenyl]methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 153163988

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol?
The IUPAC name of 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) is 2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol.
What is the SMILES notation for 2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol?
The canonical SMILES for 2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol is CCCCN(CCO)c1nc(N)nc2cn(Cc3ccc(CN[C@H]4CCOC4)cc3OC)nc12.
What is the InChIKey of 2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol?
The InChIKey is XQKGPLJTBSUAEU-IBGZPJMESA-N. The full InChI is InChI=1S/C24H35N7O3/c1-3-4-8-30(9-10-32)23-22-20(27-24(25)28-23)15-31(29-22)14-18-6-5-17(12-21(18)33-2)13-26-19-7-11-34-16-19/h5-6,12,15,19,26,32H,3-4,7-11,13-14,16H2,1-2H3,(H2,25,27)/t19-/m0/s1.
What are the key properties of 2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol?
2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol has a molecular weight of 469.59 g/mol, XLogP of 1.94, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-2-[[2-methoxy-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]-butylamino]ethanol is sourced from PubChem (CID 177265496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).