N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide

C24H18N6O2 — CID 58102958

IUPACN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cnc3ccoc3c2)ccn1
InChIInChI=1S/C24H18N6O2/c31-24(21-11-15(6-8-25-21)17-12-22-20(26-13-17)7-9-32-22)28-18-3-1-2-16(10-18)23-29-27-14-30(23)19-4-5-19/h1-3,6-14,19H,4-5H2,(H,28,31)
InChIKeyPSIMXSRMFLQFGJ-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.74
Rot. Bonds5

About N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide (PubChem CID 58102958) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide
PubChem CID58102958
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cnc3ccoc3c2)ccn1
InChIInChI=1S/C24H18N6O2/c31-24(21-11-15(6-8-25-21)17-12-22-20(26-13-17)7-9-32-22)28-18-3-1-2-16(10-18)23-29-27-14-30(23)19-4-5-19/h1-3,6-14,19H,4-5H2,(H,28,31)
InChIKeyPSIMXSRMFLQFGJ-UHFFFAOYSA-N
XLogP4.74
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide?
The IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide (CID 58102958) is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cnc3ccoc3c2)ccn1.
What is the InChIKey of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide?
The InChIKey is PSIMXSRMFLQFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c31-24(21-11-15(6-8-25-21)17-12-22-20(26-13-17)7-9-32-22)28-18-3-1-2-16(10-18)23-29-27-14-30(23)19-4-5-19/h1-3,6-14,19H,4-5H2,(H,28,31).
What are the key properties of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide?
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-furo[3,2-b]pyridin-6-ylpyridine-2-carboxamide is sourced from PubChem (CID 58102958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).