1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol

C11H14ClN5O — CID 63220432

IUPAC1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
SMILESCn1ncc2c(Cl)nc(CN3CCC(O)C3)nc21
InChIInChI=1S/C11H14ClN5O/c1-16-11-8(4-13-16)10(12)14-9(15-11)6-17-3-2-7(18)5-17/h4,7,18H,2-3,5-6H2,1H3
InChIKeyACMOHXOULXVZCN-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.58
Rot. Bonds2

About 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol

1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol (PubChem CID 63220432) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
PubChem CID63220432
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
SMILESCn1ncc2c(Cl)nc(CN3CCC(O)C3)nc21
InChIInChI=1S/C11H14ClN5O/c1-16-11-8(4-13-16)10(12)14-9(15-11)6-17-3-2-7(18)5-17/h4,7,18H,2-3,5-6H2,1H3
InChIKeyACMOHXOULXVZCN-UHFFFAOYSA-N
XLogP0.58
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63222121
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
CID 79927344
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine
CID 63220328
8-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763435
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine
CID 63220281
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine
CID 63220595
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-1,4-oxazepane
CID 63220480
4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine
CID 63220594
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol
CID 114681779
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol
CID 63221261
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one
CID 64679886
[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol
CID 63220738

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol (CID 63220432) is 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol is Cn1ncc2c(Cl)nc(CN3CCC(O)C3)nc21.
What is the InChIKey of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol?
The InChIKey is ACMOHXOULXVZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-16-11-8(4-13-16)10(12)14-9(15-11)6-17-3-2-7(18)5-17/h4,7,18H,2-3,5-6H2,1H3.
What are the key properties of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol?
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol has a molecular weight of 267.72 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 63220432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).