2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C26H25N5O3 — CID 90683600

IUPAC2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(OC4CC4)c3)c2)c2cncnc21
InChIInChI=1S/C26H25N5O3/c1-16(2)31-14-23(22-13-28-15-29-26(22)31)25(33)18-10-19(12-27-11-18)30-24(32)9-17-4-3-5-21(8-17)34-20-6-7-20/h3-5,8,10-16,20H,6-7,9H2,1-2H3,(H,30,32)
InChIKeyVXBJDBKMVAKHFE-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.36
Rot. Bonds8

About 2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683600) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683600
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(OC4CC4)c3)c2)c2cncnc21
InChIInChI=1S/C26H25N5O3/c1-16(2)31-14-23(22-13-28-15-29-26(22)31)25(33)18-10-19(12-27-11-18)30-24(32)9-17-4-3-5-21(8-17)34-20-6-7-20/h3-5,8,10-16,20H,6-7,9H2,1-2H3,(H,30,32)
InChIKeyVXBJDBKMVAKHFE-UHFFFAOYSA-N
XLogP4.36
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683600) is 2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(OC4CC4)c3)c2)c2cncnc21.
What is the InChIKey of 2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is VXBJDBKMVAKHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-16(2)31-14-23(22-13-28-15-29-26(22)31)25(33)18-10-19(12-27-11-18)30-24(32)9-17-4-3-5-21(8-17)34-20-6-7-20/h3-5,8,10-16,20H,6-7,9H2,1-2H3,(H,30,32).
What are the key properties of 2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 455.52 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).