1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one

C12H14ClN5O — CID 63220155

IUPAC1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one
SMILESCn1ncc2c(Cl)nc(CN3CCCCC3=O)nc21
InChIInChI=1S/C12H14ClN5O/c1-17-12-8(6-14-17)11(13)15-9(16-12)7-18-5-3-2-4-10(18)19/h6H,2-5,7H2,1H3
InChIKeyVLQTTWPANOROQH-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.53
Rot. Bonds2

About 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one

1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one (PubChem CID 63220155) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one
PubChem CID63220155
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one
SMILESCn1ncc2c(Cl)nc(CN3CCCCC3=O)nc21
InChIInChI=1S/C12H14ClN5O/c1-17-12-8(6-14-17)11(13)15-9(16-12)7-18-5-3-2-4-10(18)19/h6H,2-5,7H2,1H3
InChIKeyVLQTTWPANOROQH-UHFFFAOYSA-N
XLogP1.53
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one?
The IUPAC name of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one (CID 63220155) is 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one is Cn1ncc2c(Cl)nc(CN3CCCCC3=O)nc21.
What is the InChIKey of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one?
The InChIKey is VLQTTWPANOROQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-17-12-8(6-14-17)11(13)15-9(16-12)7-18-5-3-2-4-10(18)19/h6H,2-5,7H2,1H3.
What are the key properties of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one?
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one has a molecular weight of 279.73 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidin-2-one is sourced from PubChem (CID 63220155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).