4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine

C19H24N8 — CID 175534983

IUPAC4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine
SMILESCc1nn(C)c2nc(-c3cc(N4CC5CCCNC5C4)nc(N)n3)ccc12
InChIInChI=1S/C19H24N8/c1-11-13-5-6-14(22-18(13)26(2)25-11)15-8-17(24-19(20)23-15)27-9-12-4-3-7-21-16(12)10-27/h5-6,8,12,16,21H,3-4,7,9-10H2,1-2H3,(H2,20,23,24)
InChIKeyUEZJRDQODGTYRR-UHFFFAOYSA-N
MW364.46 g/mol
LogP1.50
Rot. Bonds2

About 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine

4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine (PubChem CID 175534983) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine
PubChem CID175534983
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine
SMILESCc1nn(C)c2nc(-c3cc(N4CC5CCCNC5C4)nc(N)n3)ccc12
InChIInChI=1S/C19H24N8/c1-11-13-5-6-14(22-18(13)26(2)25-11)15-8-17(24-19(20)23-15)27-9-12-4-3-7-21-16(12)10-27/h5-6,8,12,16,21H,3-4,7,9-10H2,1-2H3,(H2,20,23,24)
InChIKeyUEZJRDQODGTYRR-UHFFFAOYSA-N
XLogP1.50
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine (CID 175534983) is 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine is Cc1nn(C)c2nc(-c3cc(N4CC5CCCNC5C4)nc(N)n3)ccc12.
What is the InChIKey of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine?
The InChIKey is UEZJRDQODGTYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-11-13-5-6-14(22-18(13)26(2)25-11)15-8-17(24-19(20)23-15)27-9-12-4-3-7-21-16(12)10-27/h5-6,8,12,16,21H,3-4,7,9-10H2,1-2H3,(H2,20,23,24).
What are the key properties of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine?
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine has a molecular weight of 364.46 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 175534983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).