N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide

C24H23N5O2 — CID 144883764

IUPACN-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide
SMILESCc1cc(-c2ccc(C(=O)Nc3cc4cn(C)nc4cc3N3CC=CCC3)o2)ccn1
InChIInChI=1S/C24H23N5O2/c1-16-12-17(8-9-25-16)22-6-7-23(31-22)24(30)26-20-13-18-15-28(2)27-19(18)14-21(20)29-10-4-3-5-11-29/h3-4,6-9,12-15H,5,10-11H2,1-2H3,(H,26,30)
InChIKeyJFOGNTMAOAZHAD-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.56
Rot. Bonds4

About N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide

N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide (PubChem CID 144883764) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide
PubChem CID144883764
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide
SMILESCc1cc(-c2ccc(C(=O)Nc3cc4cn(C)nc4cc3N3CC=CCC3)o2)ccn1
InChIInChI=1S/C24H23N5O2/c1-16-12-17(8-9-25-16)22-6-7-23(31-22)24(30)26-20-13-18-15-28(2)27-19(18)14-21(20)29-10-4-3-5-11-29/h3-4,6-9,12-15H,5,10-11H2,1-2H3,(H,26,30)
InChIKeyJFOGNTMAOAZHAD-UHFFFAOYSA-N
XLogP4.56
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide (CID 144883764) is N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide is Cc1cc(-c2ccc(C(=O)Nc3cc4cn(C)nc4cc3N3CC=CCC3)o2)ccn1.
What is the InChIKey of N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide?
The InChIKey is JFOGNTMAOAZHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-12-17(8-9-25-16)22-6-7-23(31-22)24(30)26-20-13-18-15-28(2)27-19(18)14-21(20)29-10-4-3-5-11-29/h3-4,6-9,12-15H,5,10-11H2,1-2H3,(H,26,30).
What are the key properties of N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide?
N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 144883764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).