4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine

C24H25FN6O — CID 155715192

IUPAC4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnc(N(C)C)cc23)n(C)n1
InChIInChI=1S/C24H25FN6O/c1-14-9-21(31(4)29-14)18-12-28-24(19-13-26-23(30(2)3)10-16(18)19)27-11-17-15-7-8-32-22(15)6-5-20(17)25/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,27,28)
InChIKeyDPXWXSRQSKTMIK-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.09
Rot. Bonds5

About 4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine

4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine (PubChem CID 155715192) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine
PubChem CID155715192
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnc(N(C)C)cc23)n(C)n1
InChIInChI=1S/C24H25FN6O/c1-14-9-21(31(4)29-14)18-12-28-24(19-13-26-23(30(2)3)10-16(18)19)27-11-17-15-7-8-32-22(15)6-5-20(17)25/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,27,28)
InChIKeyDPXWXSRQSKTMIK-UHFFFAOYSA-N
XLogP4.09
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine with MolForge

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Related Compounds

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US9580437, Example 11
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Pociredir
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6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
CID 155817683
5-Fluoro-4-[[[8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
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5-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-N-methyl-8-N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine
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US11091495, Example 228
CID 152324986
N-[(7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
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N-Butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-pyridinamine
CID 10293771
6-(3-fluoropyridin-2-yloxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine (CID 155715192) is 4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnc(N(C)C)cc23)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine?
The InChIKey is DPXWXSRQSKTMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-14-9-21(31(4)29-14)18-12-28-24(19-13-26-23(30(2)3)10-16(18)19)27-11-17-15-7-8-32-22(15)6-5-20(17)25/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,27,28).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine?
4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine has a molecular weight of 432.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-N,6-N-dimethyl-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 155715192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).