1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide

C14H17N7O — CID 70691585

IUPAC1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide
SMILESCC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc21
InChIInChI=1S/C14H17N7O/c1-8(2)21-13-9(6-17-21)5-16-14(19-13)18-10-4-11(12(15)22)20(3)7-10/h4-8H,1-3H3,(H2,15,22)(H,16,18,19)
InChIKeyGIYOYGQGQYMCFG-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.59
Rot. Bonds4

About 1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide

1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide (PubChem CID 70691585) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide
PubChem CID70691585
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide
SMILESCC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc21
InChIInChI=1S/C14H17N7O/c1-8(2)21-13-9(6-17-21)5-16-14(19-13)18-10-4-11(12(15)22)20(3)7-10/h4-8H,1-3H3,(H2,15,22)(H,16,18,19)
InChIKeyGIYOYGQGQYMCFG-UHFFFAOYSA-N
XLogP1.59
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide (CID 70691585) is 1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide is CC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc21.
What is the InChIKey of 1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide?
The InChIKey is GIYOYGQGQYMCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-8(2)21-13-9(6-17-21)5-16-14(19-13)18-10-4-11(12(15)22)20(3)7-10/h4-8H,1-3H3,(H2,15,22)(H,16,18,19).
What are the key properties of 1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide?
1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide is sourced from PubChem (CID 70691585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).