3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one

C17H15N5O — CID 91455087

IUPAC3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(C)c2c(/N=C/C3C(=O)Nc4ccccc43)n[nH]c2n1
InChIInChI=1S/C17H15N5O/c1-9-7-10(2)19-16-14(9)15(21-22-16)18-8-12-11-5-3-4-6-13(11)20-17(12)23/h3-8,12H,1-2H3,(H,20,23)(H,19,21,22)/b18-8+
InChIKeyVOCHXDJKLWNHOX-QGMBQPNBSA-N
MW305.34 g/mol
LogP3.01
Rot. Bonds2

About 3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one

3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91455087) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91455087
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(C)c2c(/N=C/C3C(=O)Nc4ccccc43)n[nH]c2n1
InChIInChI=1S/C17H15N5O/c1-9-7-10(2)19-16-14(9)15(21-22-16)18-8-12-11-5-3-4-6-13(11)20-17(12)23/h3-8,12H,1-2H3,(H,20,23)(H,19,21,22)/b18-8+
InChIKeyVOCHXDJKLWNHOX-QGMBQPNBSA-N
XLogP3.01
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one (CID 91455087) is 3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one is Cc1cc(C)c2c(/N=C/C3C(=O)Nc4ccccc43)n[nH]c2n1.
What is the InChIKey of 3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is VOCHXDJKLWNHOX-QGMBQPNBSA-N. The full InChI is InChI=1S/C17H15N5O/c1-9-7-10(2)19-16-14(9)15(21-22-16)18-8-12-11-5-3-4-6-13(11)20-17(12)23/h3-8,12H,1-2H3,(H,20,23)(H,19,21,22)/b18-8+.
What are the key properties of 3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one?
3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 305.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91455087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).