2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C25H23N5O3 — CID 90683617

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4c(c3)CCO4)c2)c2cncnc21
InChIInChI=1S/C25H23N5O3/c1-15(2)30-13-21(20-12-27-14-28-25(20)30)24(32)18-9-19(11-26-10-18)29-23(31)8-16-3-4-22-17(7-16)5-6-33-22/h3-4,7,9-15H,5-6,8H2,1-2H3,(H,29,31)
InChIKeyPCQJOLADQJCBTG-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.75
Rot. Bonds6

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683617) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683617
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4c(c3)CCO4)c2)c2cncnc21
InChIInChI=1S/C25H23N5O3/c1-15(2)30-13-21(20-12-27-14-28-25(20)30)24(32)18-9-19(11-26-10-18)29-23(31)8-16-3-4-22-17(7-16)5-6-33-22/h3-4,7,9-15H,5-6,8H2,1-2H3,(H,29,31)
InChIKeyPCQJOLADQJCBTG-UHFFFAOYSA-N
XLogP3.75
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683617) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4c(c3)CCO4)c2)c2cncnc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is PCQJOLADQJCBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-15(2)30-13-21(20-12-27-14-28-25(20)30)24(32)18-9-19(11-26-10-18)29-23(31)8-16-3-4-22-17(7-16)5-6-33-22/h3-4,7,9-15H,5-6,8H2,1-2H3,(H,29,31).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 441.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).