6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide

C24H17N5O2 — CID 127034162

IUPAC6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C24H17N5O2/c30-24(21-14-20(27-15-28-21)16-4-2-1-3-5-16)29-17-6-8-18(9-7-17)31-22-11-13-26-23-19(22)10-12-25-23/h1-15H,(H,25,26)(H,29,30)
InChIKeyRGJAYLJZSWYEBE-UHFFFAOYSA-N
MW407.43 g/mol
LogP5.06
Rot. Bonds5

About 6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide

6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide (PubChem CID 127034162) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is 6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide
PubChem CID127034162
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC Name6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C24H17N5O2/c30-24(21-14-20(27-15-28-21)16-4-2-1-3-5-16)29-17-6-8-18(9-7-17)31-22-11-13-26-23-19(22)10-12-25-23/h1-15H,(H,25,26)(H,29,30)
InChIKeyRGJAYLJZSWYEBE-UHFFFAOYSA-N
XLogP5.06
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide (CID 127034162) is 6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cc(-c2ccccc2)ncn1.
What is the InChIKey of 6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide?
The InChIKey is RGJAYLJZSWYEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2/c30-24(21-14-20(27-15-28-21)16-4-2-1-3-5-16)29-17-6-8-18(9-7-17)31-22-11-13-26-23-19(22)10-12-25-23/h1-15H,(H,25,26)(H,29,30).
What are the key properties of 6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide?
6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 127034162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).