5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C23H18FN7O2 — CID 90683858

IUPAC5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4cc(F)cnc4[nH]3)c2)c2cncnc21
InChIInChI=1S/C23H18FN7O2/c1-12(2)31-10-18(17-9-26-11-28-22(17)31)20(32)14-4-16(8-25-6-14)29-23(33)19-5-13-3-15(24)7-27-21(13)30-19/h3-12H,1-2H3,(H,27,30)(H,29,33)
InChIKeyQPYKKWFKIQDVDL-UHFFFAOYSA-N
MW443.44 g/mol
LogP3.91
Rot. Bonds5

About 5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 90683858) has the molecular formula C23H18FN7O2 and a molecular weight of 443.44 g/mol. Its IUPAC name is 5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID90683858
Molecular FormulaC23H18FN7O2
Molecular Weight443.44 g/mol
Exact Mass443.15
IUPAC Name5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4cc(F)cnc4[nH]3)c2)c2cncnc21
InChIInChI=1S/C23H18FN7O2/c1-12(2)31-10-18(17-9-26-11-28-22(17)31)20(32)14-4-16(8-25-6-14)29-23(33)19-5-13-3-15(24)7-27-21(13)30-19/h3-12H,1-2H3,(H,27,30)(H,29,33)
InChIKeyQPYKKWFKIQDVDL-UHFFFAOYSA-N
XLogP3.91
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 90683858) is 5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4cc(F)cnc4[nH]3)c2)c2cncnc21.
What is the InChIKey of 5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is QPYKKWFKIQDVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O2/c1-12(2)31-10-18(17-9-26-11-28-22(17)31)20(32)14-4-16(8-25-6-14)29-23(33)19-5-13-3-15(24)7-27-21(13)30-19/h3-12H,1-2H3,(H,27,30)(H,29,33).
What are the key properties of 5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 90683858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).