1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide

C22H17FN4O3 — CID 24901680

IUPAC1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(C2CC2)c1=O
InChIInChI=1S/C22H17FN4O3/c23-17-12-13(26-21(28)16-2-1-11-27(22(16)29)14-4-5-14)3-6-19(17)30-18-8-10-25-20-15(18)7-9-24-20/h1-3,6-12,14H,4-5H2,(H,24,25)(H,26,28)
InChIKeyKZQHNMSQKVMIOW-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.24
Rot. Bonds5

About 1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide

1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 24901680) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
PubChem CID24901680
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(C2CC2)c1=O
InChIInChI=1S/C22H17FN4O3/c23-17-12-13(26-21(28)16-2-1-11-27(22(16)29)14-4-5-14)3-6-19(17)30-18-8-10-25-20-15(18)7-9-24-20/h1-3,6-12,14H,4-5H2,(H,24,25)(H,26,28)
InChIKeyKZQHNMSQKVMIOW-UHFFFAOYSA-N
XLogP4.24
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide (CID 24901680) is 1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is KZQHNMSQKVMIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c23-17-12-13(26-21(28)16-2-1-11-27(22(16)29)14-4-5-14)3-6-19(17)30-18-8-10-25-20-15(18)7-9-24-20/h1-3,6-12,14H,4-5H2,(H,24,25)(H,26,28).
What are the key properties of 1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 24901680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).