N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C26H20N4O2 — CID 59334057

IUPACN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCc1noc(C)c1-c1cccc2c1-c1ccccc1C2NC(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C26H20N4O2/c1-14-22(15(2)32-30-14)20-8-5-9-21-23(20)16-6-3-4-7-17(16)24(21)29-26(31)19-11-13-28-25-18(19)10-12-27-25/h3-13,24H,1-2H3,(H,27,28)(H,29,31)
InChIKeyOKSSVJVPTYEPCQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.33
Rot. Bonds3

About N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 59334057) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID59334057
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCc1noc(C)c1-c1cccc2c1-c1ccccc1C2NC(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C26H20N4O2/c1-14-22(15(2)32-30-14)20-8-5-9-21-23(20)16-6-3-4-7-17(16)24(21)29-26(31)19-11-13-28-25-18(19)10-12-27-25/h3-13,24H,1-2H3,(H,27,28)(H,29,31)
InChIKeyOKSSVJVPTYEPCQ-UHFFFAOYSA-N
XLogP5.33
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 59334057) is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is Cc1noc(C)c1-c1cccc2c1-c1ccccc1C2NC(=O)c1ccnc2[nH]ccc12.
What is the InChIKey of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is OKSSVJVPTYEPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-14-22(15(2)32-30-14)20-8-5-9-21-23(20)16-6-3-4-7-17(16)24(21)29-26(31)19-11-13-28-25-18(19)10-12-27-25/h3-13,24H,1-2H3,(H,27,28)(H,29,31).
What are the key properties of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 59334057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).