4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide

C26H22F2N6O2 — CID 143303857

IUPAC4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide
SMILESCOCc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)c3cc5c(F)cc(F)cc5[nH]3)C4)c2n1
InChIInChI=1S/C26H22F2N6O2/c1-36-13-17-3-5-21-25(30-17)24(6-7-29-21)34-12-14-8-16(2-4-20(14)33-34)31-26(35)23-11-18-19(28)9-15(27)10-22(18)32-23/h3,5-7,9-12,16,32H,2,4,8,13H2,1H3,(H,31,35)
InChIKeyACPQXEMTIURGPA-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.01
Rot. Bonds5

About 4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide

4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide (PubChem CID 143303857) has the molecular formula C26H22F2N6O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide
PubChem CID143303857
Molecular FormulaC26H22F2N6O2
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide
SMILESCOCc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)c3cc5c(F)cc(F)cc5[nH]3)C4)c2n1
InChIInChI=1S/C26H22F2N6O2/c1-36-13-17-3-5-21-25(30-17)24(6-7-29-21)34-12-14-8-16(2-4-20(14)33-34)31-26(35)23-11-18-19(28)9-15(27)10-22(18)32-23/h3,5-7,9-12,16,32H,2,4,8,13H2,1H3,(H,31,35)
InChIKeyACPQXEMTIURGPA-UHFFFAOYSA-N
XLogP4.01
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

ethyl 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylate
CID 15958783
7-Fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethyl]amino]-3-quinolinecarboxamide
CID 130470684
CARM1 inhibitor 2
CID 50937454
ethyl 5-{1-methyl-3-[(pyridin-4-ylmethyl)carbamoyl]-1H-pyrazol-5-yl}-1H-indole-2-carboxylate
CID 45377564
CID 127031964
CID 127031964
4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
CID 130470501
7-fluoro-6-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]quinoline-3-carboxamide
CID 130470509
6-[2-Fluoro-6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethyl]amino]-3-quinolinecarboxamide
CID 130470516
7-fluoro-4-[[(1S)-1-(4-fluoro-1-methylpyrazol-3-yl)ethyl]amino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
CID 130470749
[(2S)-1-[[3-[5-[5-(1H-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-1-oxopropan-2-yl]azanium
CID 72199610
6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]cinnoline-3-carboxamide
CID 145964774
4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(methoxymethyl)-3-pyridinyl]cinnoline-3-carboxamide
CID 145971640

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide (CID 143303857) is 4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide is COCc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)c3cc5c(F)cc(F)cc5[nH]3)C4)c2n1.
What is the InChIKey of 4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide?
The InChIKey is ACPQXEMTIURGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2/c1-36-13-17-3-5-21-25(30-17)24(6-7-29-21)34-12-14-8-16(2-4-20(14)33-34)31-26(35)23-11-18-19(28)9-15(27)10-22(18)32-23/h3,5-7,9-12,16,32H,2,4,8,13H2,1H3,(H,31,35).
What are the key properties of 4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide?
4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide has a molecular weight of 488.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-[2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 143303857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).