4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile

C12H10N6 — CID 138569976

IUPAC4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile
SMILESCn1cc(-c2cc3c(N)ccnc3[nH]2)c(C#N)n1
InChIInChI=1S/C12H10N6/c1-18-6-8(11(5-13)17-18)10-4-7-9(14)2-3-15-12(7)16-10/h2-4,6H,1H3,(H3,14,15,16)
InChIKeyIHNQFUJGKZZETI-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.42
Rot. Bonds1

About 4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile

4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile (PubChem CID 138569976) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile
PubChem CID138569976
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile
SMILESCn1cc(-c2cc3c(N)ccnc3[nH]2)c(C#N)n1
InChIInChI=1S/C12H10N6/c1-18-6-8(11(5-13)17-18)10-4-7-9(14)2-3-15-12(7)16-10/h2-4,6H,1H3,(H3,14,15,16)
InChIKeyIHNQFUJGKZZETI-UHFFFAOYSA-N
XLogP1.42
TPSA96.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile?
The IUPAC name of 4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile (CID 138569976) is 4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile?
The canonical SMILES for 4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile is Cn1cc(-c2cc3c(N)ccnc3[nH]2)c(C#N)n1.
What is the InChIKey of 4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile?
The InChIKey is IHNQFUJGKZZETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c1-18-6-8(11(5-13)17-18)10-4-7-9(14)2-3-15-12(7)16-10/h2-4,6H,1H3,(H3,14,15,16).
What are the key properties of 4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile?
4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 138569976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).