N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C18H14N4O2 — CID 59796954

IUPACN-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc2n[nH]c(-c3ccccc3)c2c1
InChIInChI=1S/C18H14N4O2/c23-18(20-11-14-7-4-8-24-14)13-9-15-16(12-5-2-1-3-6-12)21-22-17(15)19-10-13/h1-10H,11H2,(H,20,23)(H,19,21,22)
InChIKeyBRTPQTMJBGYMDG-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.15
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 59796954) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID59796954
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc2n[nH]c(-c3ccccc3)c2c1
InChIInChI=1S/C18H14N4O2/c23-18(20-11-14-7-4-8-24-14)13-9-15-16(12-5-2-1-3-6-12)21-22-17(15)19-10-13/h1-10H,11H2,(H,20,23)(H,19,21,22)
InChIKeyBRTPQTMJBGYMDG-UHFFFAOYSA-N
XLogP3.15
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 59796954) is N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(NCc1ccco1)c1cnc2n[nH]c(-c3ccccc3)c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BRTPQTMJBGYMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-18(20-11-14-7-4-8-24-14)13-9-15-16(12-5-2-1-3-6-12)21-22-17(15)19-10-13/h1-10H,11H2,(H,20,23)(H,19,21,22).
What are the key properties of N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 59796954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).