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

C27H24N6O2 — CID 90683662

IUPAC2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cc(-c4ccccc4)c[nH]3)c2)c2cncnc21
InChIInChI=1S/C27H24N6O2/c1-17(2)33-15-24(23-14-29-16-31-27(23)33)26(35)20-9-22(13-28-11-20)32-25(34)10-21-8-19(12-30-21)18-6-4-3-5-7-18/h3-9,11-17,30H,10H2,1-2H3,(H,32,34)
InChIKeyAKAHZGOJQDAPRX-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.81
Rot. Bonds7

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

2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683662) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683662
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cc(-c4ccccc4)c[nH]3)c2)c2cncnc21
InChIInChI=1S/C27H24N6O2/c1-17(2)33-15-24(23-14-29-16-31-27(23)33)26(35)20-9-22(13-28-11-20)32-25(34)10-21-8-19(12-30-21)18-6-4-3-5-7-18/h3-9,11-17,30H,10H2,1-2H3,(H,32,34)
InChIKeyAKAHZGOJQDAPRX-UHFFFAOYSA-N
XLogP4.81
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683662) is 2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-phenyl-1H-pyrrol-2-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)Cc3cc(-c4ccccc4)c[nH]3)c2)c2cncnc21.
What is the InChIKey of 2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is AKAHZGOJQDAPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-17(2)33-15-24(23-14-29-16-31-27(23)33)26(35)20-9-22(13-28-11-20)32-25(34)10-21-8-19(12-30-21)18-6-4-3-5-7-18/h3-9,11-17,30H,10H2,1-2H3,(H,32,34).
What are the key properties of 2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 464.53 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1H-pyrrol-2-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).