2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol

C20H32N6O — CID 56913494

IUPAC2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol
SMILESCN(CC1CCN(CCO)CC1)c1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C20H32N6O/c1-24(14-15-7-9-26(10-8-15)11-12-27)19-17-13-21-25(2)20(17)23-18(22-19)16-5-3-4-6-16/h13,15-16,27H,3-12,14H2,1-2H3
InChIKeySZUQQKJZHHLLOH-UHFFFAOYSA-N
MW372.52 g/mol
LogP2.16
Rot. Bonds6

About 2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol

2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol (PubChem CID 56913494) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol
PubChem CID56913494
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol
SMILESCN(CC1CCN(CCO)CC1)c1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C20H32N6O/c1-24(14-15-7-9-26(10-8-15)11-12-27)19-17-13-21-25(2)20(17)23-18(22-19)16-5-3-4-6-16/h13,15-16,27H,3-12,14H2,1-2H3
InChIKeySZUQQKJZHHLLOH-UHFFFAOYSA-N
XLogP2.16
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

6-cyclopentyl-N,1-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 56918236
6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 70758527
N,1,6-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 56908596
6-cyclopentyl-N,1-dimethyl-N-[3-[(2S)-oxolan-2-yl]propyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 95867838
3-[4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 56899488
1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine
CID 56909758
(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 95729990
N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride
CID 154582399
2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol
CID 95344493
[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol
CID 63220738
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 63632297
N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 56910169

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol (CID 56913494) is 2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol is CN(CC1CCN(CCO)CC1)c1nc(C2CCCC2)nc2c1cnn2C.
What is the InChIKey of 2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
The InChIKey is SZUQQKJZHHLLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-24(14-15-7-9-26(10-8-15)11-12-27)19-17-13-21-25(2)20(17)23-18(22-19)16-5-3-4-6-16/h13,15-16,27H,3-12,14H2,1-2H3.
What are the key properties of 2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol has a molecular weight of 372.52 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 56913494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).