N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide

C26H23N5O2 — CID 57402183

IUPACN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1ccc2ccccc2c1
InChIInChI=1S/C26H23N5O2/c32-24(19-6-5-16-3-1-2-4-17(16)11-19)31-22-12-18(7-9-28-22)21-13-20-23(30-21)26(8-10-27-14-26)15-29-25(20)33/h1-7,9,11-13,27,30H,8,10,14-15H2,(H,29,33)(H,28,31,32)
InChIKeyOINVDTDMPCVMLA-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.46
Rot. Bonds3

About N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide

N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide (PubChem CID 57402183) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide
PubChem CID57402183
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1ccc2ccccc2c1
InChIInChI=1S/C26H23N5O2/c32-24(19-6-5-16-3-1-2-4-17(16)11-19)31-22-12-18(7-9-28-22)21-13-20-23(30-21)26(8-10-27-14-26)15-29-25(20)33/h1-7,9,11-13,27,30H,8,10,14-15H2,(H,29,33)(H,28,31,32)
InChIKeyOINVDTDMPCVMLA-UHFFFAOYSA-N
XLogP3.46
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide (CID 57402183) is N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide is O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The InChIKey is OINVDTDMPCVMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-24(19-6-5-16-3-1-2-4-17(16)11-19)31-22-12-18(7-9-28-22)21-13-20-23(30-21)26(8-10-27-14-26)15-29-25(20)33/h1-7,9,11-13,27,30H,8,10,14-15H2,(H,29,33)(H,28,31,32).
What are the key properties of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide?
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide is sourced from PubChem (CID 57402183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).