2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol

C22H31ClN6O2 — CID 22060060

IUPAC2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol
SMILESCCCc1nn(C)c2c(NCc3ccc(OC)c(Cl)c3)nc(CN(CC)CCO)nc12
InChIInChI=1S/C22H31ClN6O2/c1-5-7-17-20-21(28(3)27-17)22(26-19(25-20)14-29(6-2)10-11-30)24-13-15-8-9-18(31-4)16(23)12-15/h8-9,12,30H,5-7,10-11,13-14H2,1-4H3,(H,24,25,26)
InChIKeyDPYUKKSAOUEPMY-UHFFFAOYSA-N
MW446.98 g/mol
LogP3.40
Rot. Bonds11

About 2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol

2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol (PubChem CID 22060060) has the molecular formula C22H31ClN6O2 and a molecular weight of 446.98 g/mol. Its IUPAC name is 2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol
PubChem CID22060060
Molecular FormulaC22H31ClN6O2
Molecular Weight446.98 g/mol
Exact Mass446.22
IUPAC Name2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol
SMILESCCCc1nn(C)c2c(NCc3ccc(OC)c(Cl)c3)nc(CN(CC)CCO)nc12
InChIInChI=1S/C22H31ClN6O2/c1-5-7-17-20-21(28(3)27-17)22(26-19(25-20)14-29(6-2)10-11-30)24-13-15-8-9-18(31-4)16(23)12-15/h8-9,12,30H,5-7,10-11,13-14H2,1-4H3,(H,24,25,26)
InChIKeyDPYUKKSAOUEPMY-UHFFFAOYSA-N
XLogP3.40
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol?
The IUPAC name of 2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol (CID 22060060) is 2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol?
The canonical SMILES for 2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol is CCCc1nn(C)c2c(NCc3ccc(OC)c(Cl)c3)nc(CN(CC)CCO)nc12.
What is the InChIKey of 2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol?
The InChIKey is DPYUKKSAOUEPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN6O2/c1-5-7-17-20-21(28(3)27-17)22(26-19(25-20)14-29(6-2)10-11-30)24-13-15-8-9-18(31-4)16(23)12-15/h8-9,12,30H,5-7,10-11,13-14H2,1-4H3,(H,24,25,26).
What are the key properties of 2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol?
2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol has a molecular weight of 446.98 g/mol, XLogP of 3.40, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]methyl-ethylamino]ethanol is sourced from PubChem (CID 22060060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).