2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C27H24N6O3 — CID 90683834

IUPAC2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccn(-c4ccc(O)cc4)c3)c2)c2cncnc21
InChIInChI=1S/C27H24N6O3/c1-17(2)33-15-24(23-13-29-16-30-27(23)33)26(36)19-10-20(12-28-11-19)31-25(35)9-18-7-8-32(14-18)21-3-5-22(34)6-4-21/h3-8,10-17,34H,9H2,1-2H3,(H,31,35)
InChIKeyCUGOIQRYJCNOJD-UHFFFAOYSA-N
MW480.53 g/mol
LogP4.32
Rot. Bonds7

About 2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683834) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683834
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccn(-c4ccc(O)cc4)c3)c2)c2cncnc21
InChIInChI=1S/C27H24N6O3/c1-17(2)33-15-24(23-13-29-16-30-27(23)33)26(36)19-10-20(12-28-11-19)31-25(35)9-18-7-8-32(14-18)21-3-5-22(34)6-4-21/h3-8,10-17,34H,9H2,1-2H3,(H,31,35)
InChIKeyCUGOIQRYJCNOJD-UHFFFAOYSA-N
XLogP4.32
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683834) is 2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)pyrrol-3-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)Cc3ccn(-c4ccc(O)cc4)c3)c2)c2cncnc21.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is CUGOIQRYJCNOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c1-17(2)33-15-24(23-13-29-16-30-27(23)33)26(36)19-10-20(12-28-11-19)31-25(35)9-18-7-8-32(14-18)21-3-5-22(34)6-4-21/h3-8,10-17,34H,9H2,1-2H3,(H,31,35).
What are the key properties of 2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 480.53 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).