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

C23H19N5O3 — CID 90683712

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCn1cc(C(=O)c2cncc(NC(=O)Cc3ccc4c(c3)CCO4)c2)c2cncnc21
InChIInChI=1S/C23H19N5O3/c1-28-12-19(18-11-25-13-26-23(18)28)22(30)16-8-17(10-24-9-16)27-21(29)7-14-2-3-20-15(6-14)4-5-31-20/h2-3,6,8-13H,4-5,7H2,1H3,(H,27,29)
InChIKeyPBGJXLWVMSVTJN-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.71
Rot. Bonds5

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

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683712) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683712
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCn1cc(C(=O)c2cncc(NC(=O)Cc3ccc4c(c3)CCO4)c2)c2cncnc21
InChIInChI=1S/C23H19N5O3/c1-28-12-19(18-11-25-13-26-23(18)28)22(30)16-8-17(10-24-9-16)27-21(29)7-14-2-3-20-15(6-14)4-5-31-20/h2-3,6,8-13H,4-5,7H2,1H3,(H,27,29)
InChIKeyPBGJXLWVMSVTJN-UHFFFAOYSA-N
XLogP2.71
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.71
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-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683712) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-methylpyrrolo[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-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is Cn1cc(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-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is PBGJXLWVMSVTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-28-12-19(18-11-25-13-26-23(18)28)22(30)16-8-17(10-24-9-16)27-21(29)7-14-2-3-20-15(6-14)4-5-31-20/h2-3,6,8-13H,4-5,7H2,1H3,(H,27,29).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 413.44 g/mol, XLogP of 2.71, 5 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-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).