5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine

C14H17ClN6O — CID 138710733

IUPAC5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nn(C(C)C)cc1Nc1ncc2c(Cl)cn(C)c2n1
InChIInChI=1S/C14H17ClN6O/c1-8(2)21-7-11(13(19-21)22-4)17-14-16-5-9-10(15)6-20(3)12(9)18-14/h5-8H,1-4H3,(H,16,17,18)
InChIKeyANNKHCURQDWZTC-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.15
Rot. Bonds4

About 5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine

5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 138710733) has the molecular formula C14H17ClN6O and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID138710733
Molecular FormulaC14H17ClN6O
Molecular Weight320.78 g/mol
Exact Mass320.12
IUPAC Name5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nn(C(C)C)cc1Nc1ncc2c(Cl)cn(C)c2n1
InChIInChI=1S/C14H17ClN6O/c1-8(2)21-7-11(13(19-21)22-4)17-14-16-5-9-10(15)6-20(3)12(9)18-14/h5-8H,1-4H3,(H,16,17,18)
InChIKeyANNKHCURQDWZTC-UHFFFAOYSA-N
XLogP3.15
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine (CID 138710733) is 5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine is COc1nn(C(C)C)cc1Nc1ncc2c(Cl)cn(C)c2n1.
What is the InChIKey of 5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ANNKHCURQDWZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O/c1-8(2)21-7-11(13(19-21)22-4)17-14-16-5-9-10(15)6-20(3)12(9)18-14/h5-8H,1-4H3,(H,16,17,18).
What are the key properties of 5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 320.78 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 138710733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).