2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide

C24H35N5O2 — CID 44527240

IUPAC2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CC(=O)NCC4CC4)CC3)c12
InChIInChI=1S/C24H35N5O2/c1-16-17(2)29(19-5-3-4-6-19)23-22(16)24(27-15-26-23)31-20-9-11-28(12-10-20)14-21(30)25-13-18-7-8-18/h15,18-20H,3-14H2,1-2H3,(H,25,30)
InChIKeyOABPSRWBJPVULF-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.53
Rot. Bonds7

About 2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide

2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 44527240) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID44527240
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CC(=O)NCC4CC4)CC3)c12
InChIInChI=1S/C24H35N5O2/c1-16-17(2)29(19-5-3-4-6-19)23-22(16)24(27-15-26-23)31-20-9-11-28(12-10-20)14-21(30)25-13-18-7-8-18/h15,18-20H,3-14H2,1-2H3,(H,25,30)
InChIKeyOABPSRWBJPVULF-UHFFFAOYSA-N
XLogP3.53
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide (CID 44527240) is 2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide is Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CC(=O)NCC4CC4)CC3)c12.
What is the InChIKey of 2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is OABPSRWBJPVULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-16-17(2)29(19-5-3-4-6-19)23-22(16)24(27-15-26-23)31-20-9-11-28(12-10-20)14-21(30)25-13-18-7-8-18/h15,18-20H,3-14H2,1-2H3,(H,25,30).
What are the key properties of 2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 425.58 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 44527240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).