N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide

C20H17FN6O — CID 59199955

IUPACN-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCCc1cn(NC(=O)c2cnc(-c3ccccn3)nc2C)c2ncc(F)cc12
InChIInChI=1S/C20H17FN6O/c1-3-13-11-27(19-15(13)8-14(21)9-24-19)26-20(28)16-10-23-18(25-12(16)2)17-6-4-5-7-22-17/h4-11H,3H2,1-2H3,(H,26,28)
InChIKeyCDAZGRAWAINHCD-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.28
Rot. Bonds4

About N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide

N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 59199955) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID59199955
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC NameN-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCCc1cn(NC(=O)c2cnc(-c3ccccn3)nc2C)c2ncc(F)cc12
InChIInChI=1S/C20H17FN6O/c1-3-13-11-27(19-15(13)8-14(21)9-24-19)26-20(28)16-10-23-18(25-12(16)2)17-6-4-5-7-22-17/h4-11H,3H2,1-2H3,(H,26,28)
InChIKeyCDAZGRAWAINHCD-UHFFFAOYSA-N
XLogP3.28
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 59199955) is N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide is CCc1cn(NC(=O)c2cnc(-c3ccccn3)nc2C)c2ncc(F)cc12.
What is the InChIKey of N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is CDAZGRAWAINHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-3-13-11-27(19-15(13)8-14(21)9-24-19)26-20(28)16-10-23-18(25-12(16)2)17-6-4-5-7-22-17/h4-11H,3H2,1-2H3,(H,26,28).
What are the key properties of N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59199955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).