7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine

C23H26N8O — CID 58315417

IUPAC7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1ncc(-c2cc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n2C2CCCC2)o1
InChIInChI=1S/C23H26N8O/c1-2-4-17(3-1)31-19(20-14-25-15-32-20)11-16-12-27-23(29-22(16)31)28-21-6-5-18(13-26-21)30-9-7-24-8-10-30/h5-6,11-15,17,24H,1-4,7-10H2,(H,26,27,28,29)
InChIKeyNNAYMZZCUHMCGB-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.75
Rot. Bonds5

About 7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine

7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 58315417) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID58315417
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1ncc(-c2cc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n2C2CCCC2)o1
InChIInChI=1S/C23H26N8O/c1-2-4-17(3-1)31-19(20-14-25-15-32-20)11-16-12-27-23(29-22(16)31)28-21-6-5-18(13-26-21)30-9-7-24-8-10-30/h5-6,11-15,17,24H,1-4,7-10H2,(H,26,27,28,29)
InChIKeyNNAYMZZCUHMCGB-UHFFFAOYSA-N
XLogP3.75
TPSA96.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 58315417) is 7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine is c1ncc(-c2cc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n2C2CCCC2)o1.
What is the InChIKey of 7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is NNAYMZZCUHMCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-2-4-17(3-1)31-19(20-14-25-15-32-20)11-16-12-27-23(29-22(16)31)28-21-6-5-18(13-26-21)30-9-7-24-8-10-30/h5-6,11-15,17,24H,1-4,7-10H2,(H,26,27,28,29).
What are the key properties of 7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 430.52 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 58315417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).